Cc2nc1cc(N)ccc1[nH]2	ZINC000000368808	c2ccc1[nH]cnc1c2
Cc2cc(=c1c(=O)[nH]c(=S)[nH]c1=O)cc(C)o2	ZINC000000125970	O=c1[nH]c(=S)[nH]c(=O)c1=c2ccocc2
C1COc2c(O1)cccc2N5CCN(C4Cc3ccccc3C4)CC5	ZINC000000016050	C1COc2c(O1)cccc2N5CCN(C4Cc3ccccc3C4)CC5
Cn1cnnc1SCC(=O)Nc2cc(F)ccc2F	ZINC000000031597	O=C(CSc1nnc[nH]1)Nc2ccccc2
O=C(Cc1ccccc1)c2ccccc2C(=O)NCc3cccs3	ZINC000000031598	O=C(Cc1ccccc1)c2ccccc2C(=O)NCc3cccs3
N#CC[N+]12CCN(CC1)CC2	ZINC000000143221	C1CN2CCN1CC2
CNCC1(C)OCCO1	ZINC000000390853	C1COCO1
CC(C)O[C@H]3C[C@@H]1CCCC[N+]1(Cc2ccccc2)O3	ZINC000000164095	C3CC[N+]2(Cc1ccccc1)OCCC2C3
Cc1nccn1C[C@@H]2CCc4c(C2=O)c3ccccc3n4C	ZINC000000075126	O=C3C(Cn1ccnc1)CCc4[nH]c2ccccc2c34
C[n+]1ccccc1C#N	ZINC000000164098	c1ccncc1
CCOc5ccc([C@]2(O)CN1CCCCCC1=[N+]2c4ccc3OCCOc3c4)cc5	ZINC000000623452	C5CCN4CC(c1ccccc1)[N+](c3ccc2OCCOc2c3)=C4CC5
Nc2ccc(N1CCCCC1)cc2	ZINC000000152886	C2CCN(c1ccccc1)CC2
Nc1ccc(F)cc1Cl	ZINC000000152883	c1ccccc1
CCN(CC)Cc1cc(N)ccc1O	ZINC000000056448	c1ccccc1
Cc1ccccc1NC(=O)CC#N	ZINC000000039365	c1ccccc1
COc1ccc(C(C)=O)c(O)c1	ZINC000000001906	c1ccccc1
CNc1nc(N(C)C)nc(N(C)C)n1	ZINC000000001900	c1ncncn1
NC(=O)c1ccc[n+](CC#N)c1	ZINC000000401939	c1ccncc1
CN(C)c1cccc(CN)c1	ZINC000000153938	c1ccccc1
O=C2CS[C@@H](c1cccc(N(=O)=O)c1)N2CCN3CCCCC3	ZINC000000208069	O=C2CSC(c1ccccc1)N2CCN3CCCCC3
NCc1ccc(O)cc1	ZINC000000153933	c1ccccc1
O=C(CCS(=O)(=O)c1ccccc1)NCc3ccc2OCOc2c3	ZINC000000223712	O=C(CCS(=O)(=O)c1ccccc1)NCc3ccc2OCOc2c3
NCc1cccc(O)c1	ZINC000000153937	c1ccccc1
ClC1(Cl)C[C@@H]1CN2CCCC2	ZINC000000159501	C2CCN(CC1CC1)C2
Clc1ccccc1CS(=O)(=O)CCC(=O)NC[C@@H]2CCCO2	ZINC000000263191	O=C(CCS(=O)(=O)Cc1ccccc1)NCC2CCCO2
COC(=O)c2cc1c(OC)cccc1[nH]2	ZINC000000056808	c2ccc1[nH]ccc1c2
CCOc1cc(C=O)ccc1OC(=O)c2ccco2	ZINC000000033990	O=C(Oc1ccccc1)c2ccco2
CC(=O)C(=Cc1ccc(N(=O)=O)o1)C(C)=O	ZINC000000014906	c1ccoc1
CCOC(=O)c3cc(c2coc(\C=N/n1cnnc1)c2)ccc3Cl	ZINC000000033999	C(=Nn1cnnc1)c3cc(c2ccccc2)co3
CC1=NO[C@]2(O)C[C@@H]3[C@H]([C@H]12)C3(C)C	ZINC000000519057	C2C1CC1C3C=NOC23
Fc2nc(F)c(F)c(SC(=S)N1CCOCC1)c2F	ZINC000000032823	S=C(Sc1ccncc1)N2CCOCC2
Nc1ccc(S(N)(=O)=O)cc1	ZINC000000002101	c1ccccc1
CC(=O)N1CCc2cc(N)ccc12	ZINC000000080838	C2Cc1ccccc1N2
C[N@]2[C@H](C[C@@H](O)c1ccccc1)CCC[C@@H]2CC(=O)c3ccccc3	ZINC000000056446	O=C(CC2CCCC(CCc1ccccc1)N2)c3ccccc3
C[C@@H](Cc1ccc(F)cc1)NC2CCC(O)CC2	ZINC000000214034	C2CCC(NCCc1ccccc1)CC2
CN4CCN([C@@]13CCCCC1=Cc2cc(N(=O)=O)ccc2O3)CC4	ZINC000000080831	C4CCC3(N1CCNCC1)Oc2ccccc2C=C3C4
COc1ccc(Br)cc1S(=O)(=O)N2CCC(C)CC2	ZINC000000259827	O=S(=O)(N1CCCCC1)c2ccccc2
CC(C)(O)C#Cc1ccccn1	ZINC000000076475	c1ccncc1
CN3CCN(c2cc(N1CCNCC1)ccc2N(=O)=O)CC3	ZINC000004123208	C3CN(c2cccc(N1CCNCC1)c2)CCN3
O=[N+](Cc1ccco1)c2ccccc2	ZINC000000116162	O=[N+](Cc1ccco1)c2ccccc2
Cc3cc(C)c2c1n(C)c(=O)n(C)c(=O)c1cn2n3	ZINC000000033669	O=c3[nH]c(=O)c2cn1ncccc1c2[nH]3
CC(C)(C)N(O)C=c1cc[n+](=O)cc1	ZINC000000403577	C=c1cc[n+](=O)cc1
C4Cc1c([nH]c2ccccc12)C3(CCNCC3)N4	ZINC000000156252	C4Cc1c([nH]c2ccccc12)C3(CCNCC3)N4
CC(=O)c2c(NC1CCCCC1)oc(C)cc2=O	ZINC000000033662	O=c2ccoc(NC1CCCCC1)c2
CN3[C@@H](CNC(=O)c1ccoc1)CN=C(c2ccccc2)c4ccc(F)cc34	ZINC000000607947	O=C(NCC3CN=C(c1ccccc1)c2ccccc2N3)c4ccoc4
NC(=S)c2nc(c1ccccc1)oc2N	ZINC000000111755	c2ccc(c1ncco1)cc2
CNc2cc(C)nc(NCc1ccccc1)n2	ZINC000000073447	C(Nc1ncccn1)c2ccccc2
NC(=O)C3CCN(CC(O)(c1ccccc1)c2ccccc2)CC3	ZINC000000130352	C3CCN(CC(c1ccccc1)c2ccccc2)CC3
CN(C)Cc2coc1ccccc1c2=O	ZINC000000124378	O=c1ccoc2ccccc12
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)/N=C/c2ccc(N(C)C)cc2	ZINC000000517863	C(Cc1ccccc1)N=Cc2ccccc2
Nc2cc(Oc1ccc(F)cc1)cc(N(=O)=O)c2	ZINC000000027783	O(c1ccccc1)c2ccccc2
Cc4ccc(N3CCN(CCCN2C(=O)[C@H]1CCCN1C2=O)CC3)cc4	ZINC000000633291	O=C2C1CCCN1C(=O)N2CCCN4CCN(c3ccccc3)CC4
CCN(CC)c2ccc(C=c1c(=O)[nH]c(=S)[nH]c1=O)c(OC)c2	ZINC000000182335	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
C[N+]4(C[C@@H](O)Cn2c1ccccc1c3ccccc23)CCOCC4	ZINC000000303667	C(CN1CCOCC1)Cn3c2ccccc2c4ccccc34
Nc1ccccc1S[C@H]4CC(=O)N(c3ccc2OCOc2c3)C4=O	ZINC000000071170	O=C2CC(Sc1ccccc1)C(=O)N2c4ccc3OCOc3c4
NC(=O)N(O)C[C@H]3COc2ccc(Oc1ccc(F)cc1)cc2O3	ZINC000000005454	C3COc2cc(Oc1ccccc1)ccc2O3
Brc2ccc(NC(=O)\C=C\c1ccc(N(=O)=O)cc1)nc2	ZINC000000226833	O=C(Nc1ccccn1)C=Cc2ccccc2
Nc2ncnc3[nH]c(SCCN1CCCCC1)nc23	ZINC000000280705	C3CCN(CCSc2nc1cncnc1[nH]2)CC3
COc1ccccc1C3(O)CCN(Cc2ccccc2)CC3	ZINC000000086089	C2CN(Cc1ccccc1)CCC2c3ccccc3
CC(=O)\C=C\c1cccc[n+]1C	ZINC000000160325	c1ccncc1
CC(C)(C)NC(=O)NC(C)(C)C	ZINC000000160323	nonring
CN(C)CCc1c[nH]c2ncccc12	ZINC000000010101	c2cnc1[nH]ccc1c2
CCc3cc1cc(OC)c(OC)cc1c(Cc2ccccc2)n3	ZINC000000001754	C(c1ccccc1)c2nccc3ccccc23
CCOC(=O)N4CCN(C2C1CC3CC(C1)CC2C3)CC4	ZINC000000279617	C4CN(C2C1CC3CC(C1)CC2C3)CCN4
COC(=O)c1ccccc1NC(=O)CCCn2nc(N(=O)=O)cc2C	ZINC000000215071	O=C(CCCn1cccn1)Nc2ccccc2
Clc1ccccc1c3nnc(SCC(=O)Nc2ccccc2)n3c4ccccc4	ZINC000000624188	O=C(CSc2nnc(c1ccccc1)n2c3ccccc3)Nc4ccccc4
CC[N+]2(CC)C[C@@H](C)O[C@@](O)(c1ccc(Cl)cc1)C2	ZINC000000162673	C2COC(c1ccccc1)CN2
CC2(C)Cc1[nH]c(=O)c(C(O)=O)cc1CO2	ZINC000000308264	O=c2ccc1COCCc1[nH]2
C[N+]2(C)CCO[C@@](O)(c1ccc(F)cc1)C2	ZINC000000162678	C2COC(c1ccccc1)CN2
F[N+]12CCN(=O)(CC1)CC2	ZINC000000388683	O=N12CCN(CC1)CC2
CCC(NCCN1CCNCC1)=c2c(=O)[nH]c(=O)n(CC=C)c2=O	ZINC000000530941	O=c2[nH]c(=O)c(=CNCCN1CCNCC1)c(=O)[nH]2
NC(=O)CNC(=O)[C@@H]1CCCc2c1[nH]c3ccc(Cl)cc23	ZINC000000036900	C1CCc2c(C1)[nH]c3ccccc23
CC2(C)CC(Nc1c(Cl)cc(Cl)cn1=O)CC(C)(C)N2	ZINC000000036908	O=n1ccccc1NC2CCNCC2
Brc2ccc1n[nH]cc1c2	ZINC000000233377	c2ccc1n[nH]cc1c2
C[C@H](CO)NC(=O)[C@@H]2C[N@@](C)[C@H]1Cc3c[nH]c4cccc(C1=C2)c34	ZINC000000057316	C4CC=C1C(Cc2c[nH]c3cccc1c23)N4
CCN2CCN(C(=O)c1cc(Cl)ccc1OC)CC2	ZINC000000318334	O=C(N1CCNCC1)c2ccccc2
CN2CCN(CCCNCc1ccc(F)cc1F)CC2	ZINC000020128307	C(CNCc1ccccc1)CN2CCNCC2
COC(=O)c1c(N)scc1c2ccccc2	ZINC000000052966	c2ccc(c1ccsc1)cc2
CNCc1ccc(N)cc1	ZINC000000153939	c1ccccc1
O=C(Nc1cccc2nsnc12)c3cccs3	ZINC000000052964	O=C(Nc1cccc2nsnc12)c3cccs3
CN(C)c2nc1ccccc1n2N	ZINC000000052962	c2ccc1[nH]cnc1c2
S=C(N2CCN(c1ccccc1)CC2)c4ccc(c3ccccc3)o4	ZINC000000052960	S=C(N2CCN(c1ccccc1)CC2)c4ccc(c3ccccc3)o4
CCS[C@H]1CCC(=O)N1S(=O)(=O)c2ccccc2	ZINC000000025146	O=C1CCCN1S(=O)(=O)c2ccccc2
Nc2nc(N)c(N)c(Nc1ccc(Br)cc1)n2	ZINC000000135678	N(c1ccccc1)c2ccncn2
CCN(CC)c3ccc(NC(=O)[C@@H]1C[C@@H]1c2ccccc2)cc3	ZINC000000027607	O=C(Nc1ccccc1)C2CC2c3ccccc3
CC1(C)[C@H]2CC=C(CN(CCO)CCO)[C@@H]1C2	ZINC000000217766	C1C=CC2CC1C2
Fc1cccc(F)c1C[n+]2ccccc2	ZINC000000159281	C(c1ccccc1)[n+]2ccccc2
CC(=O)Nc2nnc(c1ccc(Cl)cc1Cl)s2	ZINC000000035904	c2ccc(c1nncs1)cc2
CCc2ccc(OCC(=O)NC1CC(C)(C)NC(C)(C)C1)cc2	ZINC000000317821	O=C(COc1ccccc1)NC2CCNCC2
N[C@H](CCCNC(N)=N)C(=O)Nc2ccc1ccccc1c2	ZINC000004533972	c2ccc1ccccc1c2
NC(=O)C3CCN(CC(=O)N1N=CC[C@@H]1c2ccccc2)CC3	ZINC000000538969	O=C(CN1CCCCC1)N2N=CCC2c3ccccc3
CCC[N@@](CCO)C[C@H]1CCC=CC1	ZINC000000041607	C1CCC=CC1
C[C@@H](On2c(=O)c1ccccc1c2=O)C=C	ZINC000000040601	O=c1[nH]c(=O)c2ccccc12
COC[C@@H](C)NC(=O)c1ccc(C)c(C)c1	ZINC000000031628	c1ccccc1
Cc1nccn1CCC(C(N)=O)(c2ccccc2)c3ccccc3	ZINC000000007368	C(Cn1ccnc1)C(c2ccccc2)c3ccccc3
NCc1ccccc1O	ZINC000000153936	c1ccccc1
Cc2ccc1nc(O)cc(=O)n1c2	ZINC000000081467	O=c1ccnc2ccccn12
COc1ccc(CCNC(N)=N)cc1OC	ZINC000000081466	c1ccccc1
COc3ccc(OC[C@@H](O)Cn1c(C)nc2ccccc12)cc3	ZINC000000243065	C(COc1ccccc1)Cn2cnc3ccccc23
Cc3ccc(NC2=NC1(CCCCC1)NC(=N)N2)cc3C	ZINC000000203731	N=C3NC(Nc1ccccc1)=NC2(CCCCC2)N3
O=C(Cc1cccs1)NC2CCCC2	ZINC000000030503	O=C(Cc1cccs1)NC2CCCC2
Nc1nonc1NC(=O)CSc2cccc3ccccc23	ZINC000000043554	O=C(CSc1cccc2ccccc12)Nc3cnon3
CCOC(=O)C[C@@H](N)c1ccccc1Cl	ZINC000000043551	c1ccccc1
CCOC(=O)C[C@@H](N)c1ccc(C)cc1	ZINC000000043553	c1ccccc1
CNC(=S)NCCN1CCCCC1	ZINC000000414894	C1CCNCC1
C[N@@](C[C@@H](O)CO)Cc1ccccc1	ZINC000000405287	c1ccccc1
Cc2ccc(NC(=O)c1cnccn1)c(Br)c2	ZINC000000035596	O=C(Nc1ccccc1)c2cnccn2
N[C@@H](Cn1cccn1)c2ccccc2	ZINC000000106429	C(Cn1cccn1)c2ccccc2
Clc2ccc(SCC(=O)Nc1cccnc1)cc2	ZINC000000039283	O=C(CSc1ccccc1)Nc2cccnc2
Cc2cc(C)[n+]1CCSc1n2	ZINC000000497141	C2C[n+]1cccnc1S2
CC2(C)Cc1sc(=O)nc(N)c1C2	ZINC000000087106	O=c2ncc1CCCc1s2
NC1[C@H]3CC2C[C@@H]1CC(S)(C2)C3	ZINC000000244184	C1C2CC3CC1CC(C2)C3
C[C@H]2N(O)C(C)(C)C(c1ccc(C)o1)[N+]2=O	ZINC000000449063	O=[N+]1CNCC1c2ccco2
COc2ccc(NC(=S)NC[C@@H]1CCCO1)cc2	ZINC000000053561	S=C(NCC1CCCO1)Nc2ccccc2
Cc3cccc(C(=O)N2CCc1ccccc1C2)c3	ZINC000000029310	O=C(N2CCc1ccccc1C2)c3ccccc3
NCCn2c(N)c(C#N)c3nc1ccccc1nc23	ZINC000000107333	c3ccc2nc1[nH]ccc1nc2c3
CC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000000029489	c1ccccc1
CC1(C)[C@@H](C(O)=O)CC[C@@]1(C)C(N)=O	ZINC000000097113	C1CCCC1
CN(C)CC[C@@]1(C)OCCC2=C1Cc3ccccc23	ZINC000000000635	C1CC2=C(CO1)Cc3ccccc23
CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)n1	ZINC000000000637	c1ccncc1
C[C@@H]2C[C@](O)(C#C)[C@@H]1CCCC[C@@H]1N2	ZINC000000202062	C2CCC1NCCCC1C2
CC1=C(C#N)C(=O)NC(C)(C)C1	ZINC000000338292	O=C1NCCC=C1
Nc2ccc1oc(=O)ccc1c2I	ZINC000000016193	O=c2ccc1ccccc1o2
C[C@@H]2S[C@@H](c1ccccc1)NC2=O	ZINC000000289640	O=C2CSC(c1ccccc1)N2
Oc1cccn2nccc12	ZINC000000015552	c2ccn1nccc1c2
COC(=O)c2cnn3cccc(OCc1ccccc1)c23	ZINC000000015553	C(Oc1cccn2nccc12)c3ccccc3
C[N+]2(C/C=C1/COCO1)CCCCC2	ZINC000000123398	C2CCN(CC=C1COCO1)CC2
O=C(Cc1ccccc1)NC2=NCCS2	ZINC000000066713	O=C(Cc1ccccc1)NC2=NCCS2
CC(C)c3nnc(COc2ccc1c(C)c(C)c(=O)oc1c2)s3	ZINC000000005661	O=c3ccc2ccc(OCc1nncs1)cc2o3
C[C@@H]([C@H](O)c1ccccc1)N(C)C	ZINC000000000491	c1ccccc1
CCOc2nc([n+]1ccccc1)c(C=O)s2	ZINC000000500621	c2cc[n+](c1cscn1)cc2
Fc3ccc(c2nc(c1cccnc1)cs2)cc3	ZINC000000003450	c3ccc(c2nc(c1cccnc1)cs2)cc3
N#Cc1cnoc1N2CCOCC2	ZINC000000035330	C2CN(c1ccno1)CCO2
COc3cccc(\C=N\N=c1/c(=O)[nH]c2ccccc12)c3OC	ZINC000000032100	O=c2[nH]c1ccccc1c2=NN=Cc3ccccc3
COc1ccccc1C[N@]2C[C@@H]4C[C@H](C2)c3cccc(=O)n3C4	ZINC000000228620	O=c4cccc3C2CC(CN(Cc1ccccc1)C2)Cn34
C2C[N+]3(Cc1ccccc1)CCN2CC3	ZINC000000281397	C2C[N+]3(Cc1ccccc1)CCN2CC3
CCN3CCN(c2ccc(NC(=O)c1ccc(F)cc1)cc2)CC3	ZINC000000588156	O=C(Nc2ccc(N1CCNCC1)cc2)c3ccccc3
Oc4cccc(C[N@]1C[C@@H]3C[C@H](C1)c2cccc(=O)n2C3)c4	ZINC000000228628	O=c4cccc3C2CC(CN(Cc1ccccc1)C2)Cn34
Cc2c(c1ccccc1)[nH]c(=O)n2C4CCN(CCc3ccccc3)CC4	ZINC000000592274	O=c2[nH]c(c1ccccc1)cn2C4CCN(CCc3ccccc3)CC4
C[N@](c1ccncc1)n2ccc3ccccc23	ZINC000000003997	N(c1ccncc1)n2ccc3ccccc23
Cc1ncnc(NN)c1Cl	ZINC000000331822	c1cncnc1
COC(=O)c4ccc(C[N+]3(C)CCc2[nH]c1ccccc1c2C3)o4	ZINC000000490868	C3Cc2[nH]c1ccccc1c2CN3Cc4ccco4
NC1CCN(S(N)(=O)=O)CC1	ZINC000019513409	C1CCNCC1
CCC[N@](c1ccncc1F)n2cc(C)c3cc(OC(=O)NC)ccc23	ZINC000000598070	N(c1ccncc1)n2ccc3ccccc23
COc3cccc(NS(=O)(=O)c2ccc1[nH]c(=O)c(=O)[nH]c1c2)c3	ZINC000000252919	O=c3[nH]c2ccc(S(=O)(=O)Nc1ccccc1)cc2[nH]c3=O
CC[C@@H]1NC(=O)NC(C)=C1C(C)=O	ZINC000000052776	O=C1NCC=CN1
CC(C)[N@]2C[C@@H](C)[C@H](OC(=O)c1ccccc1)C[C@H]2C	ZINC000000052775	O=C(OC1CCNCC1)c2ccccc2
C[n+]1cccc(C#N)c1	ZINC000000330999	c1ccncc1
COC(=O)[C@@H]1CNC(=O)[C@@H]1N	ZINC000238340905	O=C1CCCN1
Cc2ccc(C)c(C1=NNC(=O)CC1)c2	ZINC000000303416	O=C2CCC(c1ccccc1)=NN2
CCc1ccccc1NC(=O)[C@H]2SC(=N)NC(O)=C2	ZINC000000543516	N=C2NC=CC(C(=O)Nc1ccccc1)S2
CC(C)(O)c1ccccn1	ZINC000000161340	c1ccncc1
Clc2ccc(C(=O)NCc1ccccn1)cc2N(=O)=O	ZINC000000060016	O=C(NCc1ccccn1)c2ccccc2
CC(=O)Nc2nc(SCc1ccc(N(=O)=O)cc1)n(C(C)=O)n2	ZINC000000033276	C(Sc1ncn[nH]1)c2ccccc2
COC(=O)[C@H]1C[C@H](O)CN1Cc2ccsc2	ZINC000000228978	C2CCN(Cc1ccsc1)C2
NC(=O)C4CCN(CCCn2c1ccccc1sc3ccc(Cl)cc23)CC4	ZINC000000538183	C4CCN(CCCn2c1ccccc1sc3ccccc23)CC4
CCc1ccccc1N4CC(=O)C(c3nc2ccccc2c(=O)[nH]3)=C4N	ZINC000000138333	O=C2CN(c1ccccc1)C=C2c4nc3ccccc3c(=O)[nH]4
C[N@]1CCc4c(C1)sc3N[C@H](c2ccc(O)c(O)c2)NC(=O)c34	ZINC000000535963	O=C3NC(c1ccccc1)Nc4sc2CNCCc2c34
COc1ccc(CN)cc1Cl	ZINC000000170050	c1ccccc1
Ic2ccc(NC1SC(=S)N=N1)cc2	ZINC000000094006	S=C2SC(Nc1ccccc1)N=N2
CN3CCN(c2ncc(c1cc(Cl)cc(Cl)c1Cl)c(N)n2)CC3	ZINC000000538354	C3CN(c2ncc(c1ccccc1)cn2)CCN3
O=C2CCC(=O)N(c1ccccc1)N2	ZINC000000150362	O=C2CCC(=O)N(c1ccccc1)N2
Cc1cc(C)c(=O)[nH]n1	ZINC000000001108	O=c1cccn[nH]1
Cc1cc(=O)n(C(C)(C)C)[nH]1	ZINC000000091518	O=c1cc[nH][nH]1
Cc1ccccc1CSc2nc(N)cc(=O)[nH]2	ZINC000000145814	O=c2ccnc(SCc1ccccc1)[nH]2
COc2ccc(CN1CCSCC1)c(OC)c2C	ZINC000000207286	C2CN(Cc1ccccc1)CCS2
CC(=O)OC2(C#C)C1CC3CC(C1)CC2C3	ZINC000000054349	C1C2CC3CC1CC(C2)C3
Cc2cccc(C(=S)N1CCOCC1)n2	ZINC000000130654	S=C(N1CCOCC1)c2ccccn2
O=c3cc(c1ccccc1)[nH]c2nonc2[nH]3	ZINC000000054341	O=c3cc(c1ccccc1)[nH]c2nonc2[nH]3
COc2nc(Nc1ccccc1)nc(OCC(F)(F)F)n2	ZINC000000034463	N(c1ccccc1)c2ncncn2
CN(C)C[C@]1(C)OC(=O)C(Cl)=C1C	ZINC000000085686	O=C1OCC=C1
Cc2nc1ccccc1nc2C	ZINC000000061492	c2ccc1nccnc1c2
C[N@]2[C@H](c1ccccc1)CC(=O)[C@]3(O)CCCC[C@H]23	ZINC000000085683	O=C3CC(c1ccccc1)NC2CCCCC23
C[n+]1ccccc1CS(=O)(=O)c2ccccc2	ZINC000000399133	O=S(=O)(Cc1ccccn1)c2ccccc2
COc3ccc(S(=O)(=O)n1cnc2cc(C)c(C)cc12)cc3C	ZINC000000036222	O=S(=O)(c1ccccc1)n2cnc3ccccc23
CCCN1CCN(C(=O)OCC)CC1	ZINC000000394416	C1CNCCN1
C[n+]1ccc(CS(C)(=O)=O)cc1	ZINC000000398528	c1ccncc1
C[C@@H]3C[C@@](O)(CC(O)(c1ccccc1)c2ccccc2)[C@@H](C)C[N@]3C	ZINC000000036733	C3CC(CC(c1ccccc1)c2ccccc2)CCN3
O=C(Nc1ccccc1)Nc4ccc(c3nnc2CCCCCn23)cc4	ZINC000000203921	O=C(Nc1ccccc1)Nc4ccc(c3nnc2CCCCCn23)cc4
NC(=O)c1ccccc1NC(=O)COc2ccc(N(=O)=O)cc2	ZINC000000116335	O=C(COc1ccccc1)Nc2ccccc2
C[C@@H]2C[C@@H](C)CN(C(=O)CCc1ccccc1)C2	ZINC000000030777	O=C(CCc1ccccc1)N2CCCCC2
CN(C)CCNc2oc(c1ccccc1F)nc2C#N	ZINC000000468344	c2ccc(c1ncco1)cc2
O[C@@H]2CC[N@@](Cc1ccccc1)C2	ZINC000000389765	C2CCN(Cc1ccccc1)C2
CC(C)(C)C(=O)CC#N	ZINC000000159361	nonring
C[N@@](CCO)Cc1ccccc1	ZINC000000389763	c1ccccc1
C[C@@H](NC(=O)CN2CCC(CN1CCCC1)CC2)C(=O)N(C)C	ZINC000051907845	C2CCN(CC1CCNCC1)C2
COc4ccc3SCCN(C(=O)CCN2CCC(Cc1ccccc1)CC2)Cc3c4	ZINC000000600324	O=C(CCN2CCC(Cc1ccccc1)CC2)N4CCSc3ccccc3C4
CCn1c(=O)c(N(C)C)nc2ccccc12	ZINC000000021500	O=c2cnc1ccccc1[nH]2
O=CN[C@@H]1CCCCNC1=O	ZINC000000007996	O=C1CCCCCN1
O=C(Cc1ccc(N(=O)=O)cc1)N/N=C/c2ccc(C#N)cc2	ZINC000000061722	O=C(Cc1ccccc1)NN=Cc2ccccc2
C/C=C1\[C@H]3CCC[C@]1(N)c2ccc(=O)[nH]c2C3	ZINC000000007990	C=C1C3CCCC1c2ccc(=O)[nH]c2C3
C[C@@H](SC(C)=O)C(O)=O	ZINC000000007992	nonring
Nc1ccccc1Nc2ccncc2N	ZINC000000040389	N(c1ccccc1)c2ccncc2
C[C@H](CNC1CCCCC1)c2ccncc2	ZINC000000009592	C2CCC(NCCc1ccncc1)CC2
O=C1CCCCN1CN2CCCCC2	ZINC000000165580	O=C1CCCCN1CN2CCCCC2
O=S(=O)(N/N=C/c1cccs1)c3ccc(c2ccccn2)s3	ZINC000000126133	O=S(=O)(NN=Cc1cccs1)c3ccc(c2ccccn2)s3
COc1ccccc1CCN[C@H]3CC(=O)N(c2ccc(C)cc2)C3=O	ZINC000000339240	O=C2CC(NCCc1ccccc1)C(=O)N2c3ccccc3
CC(C)(\C=N\O)[N+](=O)Cc1ccc(O)cc1	ZINC000000522638	c1ccccc1
CNCc1ccc(OC)cc1	ZINC000000161978	c1ccccc1
O=C(N1CCNCC1)N2CCNCC2	ZINC000034142277	O=C(N1CCNCC1)N2CCNCC2
CC1(C)[C@@H]2C[C@H](O)[C@](C)(O)[C@H]1C2	ZINC000000161977	C1CC2CC(C1)C2
Fc1cccc(F)c1C(=O)n2cc(Br)cn2	ZINC000000037171	O=C(c1ccccc1)n2cccn2
Cc1ccccc1C(=O)n2cc(Cl)cn2	ZINC000000037175	O=C(c1ccccc1)n2cccn2
Cc2nn(C(=O)c1ccn(C)n1)c(C)c2Cl	ZINC000000037176	O=C(c1cc[nH]n1)n2cccn2
Fc1ccc(F)c(C#N)c1F	ZINC000000155264	c1ccccc1
CCO[C@@H](C)C(=O)C(O)O	ZINC000000000411	nonring
NCc1ccc(O)c(O)c1	ZINC000000388548	c1ccccc1
CC[C@@]2(C)Cc1ccccc1C3=[N+]2CCS3	ZINC000000088547	C1C[N+]3=C(S1)c2ccccc2CC3
COC(=O)c1cc[n+](C)c(SC)c1	ZINC000000335027	c1ccncc1
Cc1cc(Br)ccc1OCc3nc(c2ccncc2)no3	ZINC000000205817	C(Oc1ccccc1)c3nc(c2ccncc2)no3
CC(C)N=Nc2nc1n(C)c(=O)[nH]c(=O)c1n2Cc3ccccc3	ZINC000000042830	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
C[C@@H](O)c1ncc(Cl)n1C	ZINC000000306894	c1c[nH]cn1
COc3ccc(N2CCN(C(=O)NC(=O)c1ccccc1)CC2)cc3	ZINC000000081858	O=C(NC(=O)c1ccccc1)N3CCN(c2ccccc2)CC3
CN2CCc3c(N)c1cc(C)cc(C)c1nc23	ZINC000000104448	C3Cc2cc1ccccc1nc2N3
O=C(N2CCc1ccccc1C2)c4ccc3OCOc3c4	ZINC000000030197	O=C(N2CCc1ccccc1C2)c4ccc3OCOc3c4
CC(=O)Oc4cccc(N3C(=O)[C@H]2[C@H]1C[C@H](C=C1)[C@H]2C3=O)c4	ZINC000000043129	O=C3C2C1CC(C=C1)C2C(=O)N3c4ccccc4
CNC(=O)[C@@]1(C)CNCCO1	ZINC000019686420	C1COCCN1
O=C(NC1CCCC1)c3ccc2OCOc2c3	ZINC000000030199	O=C(NC1CCCC1)c3ccc2OCOc2c3
Cc1ccccc1NC(=O)Nc2ccccc2Cl	ZINC000000028358	O=C(Nc1ccccc1)Nc2ccccc2
Clc1ccccc1NC(=O)NC2CCCCC2	ZINC000000028359	O=C(NC1CCCCC1)Nc2ccccc2
CC(=O)N1[C@@H](C(O)=O)CS[C@@H]1c2c(F)cc(F)cc2F	ZINC000000031821	C2CSC(c1ccccc1)N2
CCOC(=O)c1c(C)[nH]c2ccc(O)cc12	ZINC000000034675	c2ccc1[nH]ccc1c2
Cn1cc(Cl)c(\C=C(/C#N)C(N)=S)n1	ZINC000000163223	c1cn[nH]c1
CCOc3ccc(N2C(=O)C[C@H](NCCc1ccccn1)C2=O)cc3	ZINC000000084312	O=C2CC(NCCc1ccccn1)C(=O)N2c3ccccc3
Cc4cccc(N3C(=O)C[C@@H]([N@]2CCc1ccccc1C2)C3=O)c4	ZINC000000382553	O=C3CC(N2CCc1ccccc1C2)C(=O)N3c4ccccc4
CC(C)(C)NC(=S)N1CCSCC1	ZINC000000100138	C1CSCCN1
CC(C)c2cc(NS(=O)(=O)c1ccccc1)c(C)c(Cl)c2O	ZINC000000065416	O=S(=O)(Nc1ccccc1)c2ccccc2
CC(C)(C)NC(=O)Nc1nncs1	ZINC000000137681	c1nncs1
CN3CCN(C(=O)c1ccccc1NC(=O)c2ccco2)CC3	ZINC000000127555	O=C(Nc1ccccc1C(=O)N2CCNCC2)c3ccco3
C/C(=N\O)c2ccc1ccccc1c2O	ZINC000000025885	c2ccc1ccccc1c2
O/N=C/c2ccc1ccccc1c2O	ZINC000000025884	c2ccc1ccccc1c2
CN(CCNC(N)=N)c1ccccc1	ZINC000000112939	c1ccccc1
Cc2cccc(NC(=O)CSc1nc(N)cc(N)n1)c2	ZINC000000077124	O=C(CSc1ncccn1)Nc2ccccc2
CC(C)S(=O)(=O)c1cscc1NC(=O)c2ccc(Cl)cc2	ZINC000000096321	O=C(Nc1ccsc1)c2ccccc2
N[C@H](Cc1ccccc1)C(O)=O	ZINC000000001927	c1ccccc1
Oc2c(c1ccccc1)c(=O)c3ccccc23	ZINC000000001925	O=c2c(c1ccccc1)cc3ccccc23
COc2cc(=O)n(c1ccccc1)n2c3ccccc3	ZINC000000001928	O=c2ccn(c1ccccc1)n2c3ccccc3
CC(=O)O[C@@]2(c1ccccc1)C[C@H](C(C)(C)C)C[N@](C(C)(C)C)C2	ZINC000000049434	C2CNCC(c1ccccc1)C2
O=c3oc1ccccc1c(N2CCCC2)c3CN4CCCC4	ZINC000000236909	O=c3oc1ccccc1c(N2CCCC2)c3CN4CCCC4
CC(=O)On1c(=O)c3cccc2c(Br)ccc(c1=O)c23	ZINC000000033163	O=c1[nH]c(=O)c3cccc2cccc1c23
CCC(=O)c2ccc(N1CCN(C(C)=O)CC1)c(F)c2	ZINC000000035102	C2CN(c1ccccc1)CCN2
CC(=O)c2nn(c1ccc(N(=O)=O)cc1)cc2C(=O)c3cccs3	ZINC000000035106	O=C(c2cnn(c1ccccc1)c2)c3cccs3
COc2cc(Br)c(CNC1CCCC1)cc2OC	ZINC000000228101	C2CCC(NCc1ccccc1)C2
O=C(COc2ccc(NC(=O)c1cccs1)cc2)N3CCOCC3	ZINC000000038356	O=C(COc2ccc(NC(=O)c1cccs1)cc2)N3CCOCC3
NS(=O)(=O)c3ccc(NC(=S)N2CCc1ccccc1C2)cc3	ZINC000000193887	S=C(Nc1ccccc1)N3CCc2ccccc2C3
CCN(CC)Cc2ccc(NC(=O)c1ccc(C#N)cc1F)cc2	ZINC000000568300	O=C(Nc1ccccc1)c2ccccc2
N[C@@H](CO)Cc1ccc(O)cc1	ZINC000000403179	c1ccccc1
CNc1ncnc(N)c1N	ZINC000000330502	c1cncnc1
C1Oc2cccc3ccc[n+]1c23	ZINC000000087666	C1Oc2cccc3ccc[n+]1c23
Cc3oc2c(C)c1oc(=O)cc(C)c1cc2c3CN	ZINC000000057192	O=c3ccc2cc1ccoc1cc2o3
CCOc3ccc(C(=O)N2CCN(c1cccc(C)c1C)CC2)cc3	ZINC000000031640	O=C(N2CCN(c1ccccc1)CC2)c3ccccc3
Cc1c(N)cccc1C(F)(F)F	ZINC000000153952	c1ccccc1
O[C@@H]4CCC[N@](C2C1CC3CC(C1)CC2C3)C4	ZINC000000291697	C4CCN(C2C1CC3CC(C1)CC2C3)CC4
CN4CCN(c3nnc(c1ccccc1)c(c2ccccc2)n3)CC4	ZINC000000159566	C4CN(c3nnc(c1ccccc1)c(c2ccccc2)n3)CCN4
COc3cc2CC(C)(C)N=C(Nc1cc(C)ccc1C)c2cc3OC	ZINC000000371925	C3Cc1ccccc1C(Nc2ccccc2)=N3
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)C=C)C2	ZINC000000056863	C1CC2CCC1C2
On1nnc2ccc(C(F)(F)F)cc12	ZINC000000056862	c2ccc1[nH]nnc1c2
CC[C@@H](CO)Nc2nc1ccccc1[nH]2	ZINC000000513016	c2ccc1[nH]cnc1c2
CC1(C)CCC[C@@H]1CNC(=O)c3ccc(c2noc(CCC(F)(F)F)n2)cc3	ZINC000000603004	O=C(NCC1CCCC1)c3ccc(c2ncon2)cc3
Nc2cc(=O)[nH]c(S/C=C/c1ccccc1)n2	ZINC000000032841	O=c2ccnc(SC=Cc1ccccc1)[nH]2
COc2ccc(CSCC(=O)Nc1ccccc1)cc2N(=O)=O	ZINC000000064444	O=C(CSCc1ccccc1)Nc2ccccc2
COc2ccc(CCNS(=O)(=O)c1ccc(SC)cc1)cc2	ZINC000000032597	O=S(=O)(NCCc1ccccc1)c2ccccc2
CC(=N)Nc2cc(c1ccccc1)n[nH]2	ZINC000000165879	c2ccc(c1cc[nH]n1)cc2
Clc2ccc1cccc(Cl)c1n2	ZINC000000039759	c2ccc1ncccc1c2
Brc3ccc(C(=O)NCc1cccc2ccccc12)cc3	ZINC000000036030	O=C(NCc1cccc2ccccc12)c3ccccc3
Brc3ccc(NC(=O)Cc1cccc2ccccc12)nc3	ZINC000000036036	O=C(Cc1cccc2ccccc12)Nc3ccccn3
NC(=N)C23CC1CC(CC(C1)C2)C3	ZINC000000076414	C1C2CC3CC1CC(C2)C3
CC1(C)NC(=N)NC(=N)N1c2ccccc2C(F)(F)F	ZINC000000071375	N=C2NCN(c1ccccc1)C(=N)N2
CC(C)[C@@](O)([C@H](C)O)C(=O)OC[C@@H]1CC[N@]2CCC[C@@H]12	ZINC000000113464	C2CC1CCCN1C2
CC1(C)NC(=N)NC(=N)N1c2c(Cl)cccc2Cl	ZINC000000071371	N=C2NCN(c1ccccc1)C(=N)N2
Cc2nc1ccccc1c(=O)n2NC(=O)\C=C\c3ccccc3Cl	ZINC000000182530	O=C(Nn2cnc1ccccc1c2=O)C=Cc3ccccc3
CCc1cccc(CC)c1N2C(=N)NC(=N)NC2(C)C	ZINC000000071379	N=C2NCN(c1ccccc1)C(=N)N2
C\C(=C/C(=O)Nc1cscc1C)C(O)=O	ZINC000000082762	c1ccsc1
O=c/2[nH]c1ccccc1c\2=c5\sc4nc3ccccc3n4c5=O	ZINC000000045247	O=c2[nH]c1ccccc1c2=c5sc4nc3ccccc3n4c5=O
C[C@@H]2C[N@@](C)[C@H](c1ccccc1)CC2=O	ZINC000000184840	O=C2CCNC(c1ccccc1)C2
CN2CCC(N(C)C(=O)Nc1ccccc1)CC2	ZINC000000319253	O=C(NC1CCNCC1)Nc2ccccc2
CCOC(=O)c2ccc(NC(=O)\C=C\c1ccc(Cl)cc1)cc2	ZINC000000064030	O=C(Nc1ccccc1)C=Cc2ccccc2
c2ccc(n1ccnc1)cc2	ZINC000000160340	c2ccc(n1ccnc1)cc2
OC(=O)c3ccc5c2nc1ccccc1n2c(=O)c4cccc3c45	ZINC000000009295	O=c2c5cccc4cccc(c3nc1ccccc1n23)c45
CN(C)Cc2cc(CN(C)C)c(O)c(CCc1ccccc1)n2	ZINC000000186196	C(Cc1ccccn1)c2ccccc2
Clc1ccccc1CC2=NCCN2	ZINC000000071199	C2CN=C(Cc1ccccc1)N2
Cc2cc1occc(=O)c1cc2Cl	ZINC000000057735	O=c1ccoc2ccccc12
O=c1ccoc2ccccc12	ZINC000000057736	O=c1ccoc2ccccc12
C[C@@H]2CN(C(=O)[C@H]1C[C@H](O)CN1)CCO2	ZINC000036906971	O=C(C1CCCN1)N2CCOCC2
CCOC(=O)N3CCc2[nH]c1ccc(OC)cc1c2C3	ZINC000000033643	C3Cc2[nH]c1ccccc1c2CN3
CCN(CC)c4c(n1nnc2ccccc12)c(=O)c3ccccc3c4=O	ZINC000000033641	O=c3cc(n1nnc2ccccc12)c(=O)c4ccccc34
NC(=O)NC(=O)c1ccccc1	ZINC000000156273	c1ccccc1
NC(=O)c1ccc(F)c(F)c1F	ZINC000000156272	c1ccccc1
CC(=O)O[C@]4(c1ccccc1)[C@@H]3CN(C2CCCCC2)C(=O)[C@@H]34	ZINC000000044855	O=C1C3C(CN1C2CCCCC2)C3c4ccccc4
Clc2ccc(OCC(=O)Nc1ncccn1)cc2	ZINC000000053348	O=C(COc1ccccc1)Nc2ncccn2
COC(=O)[C@@H]2[C@@H](\C=C\c1ccccc1)[C@H](C(=O)OC)[C@@](C)(O)CC2=O	ZINC000000278675	O=C2CCCC(C=Cc1ccccc1)C2
Cc1ccc(NN)c(C)c1	ZINC000000085238	c1ccccc1
C2CN=CN(Cc1cccnc1)C2	ZINC000000009127	C2CN=CN(Cc1cccnc1)C2
CCc3c(C)c(C#N)c2nc1ccccc1n2c3N4CCNCC4	ZINC000000048846	C4CN(c2cccc3nc1ccccc1n23)CCN4
COc1ccc(O)cc1C(C)(C)C	ZINC000000056481	c1ccccc1
COc1ccc(NC(=O)CC(C)=O)cc1	ZINC000000056480	c1ccccc1
COC(=O)c1ccc(NC(C)=O)cc1O[C@@H](C)C(C)=O	ZINC000000036698	c1ccccc1
C[N@@](Cc1ccccc1)Cc3c(O)ccc4c2CCCc2c(=O)oc34	ZINC000000122782	O=c4oc2c(CNCc1ccccc1)cccc2c3CCCc34
Clc1ccccc1CNC(=O)c2ccco2	ZINC000000037613	O=C(NCc1ccccc1)c2ccco2
NC(=N)NC(=N)Nc1ccc(SC(F)F)cc1	ZINC000000351509	c1ccccc1
CN1CNS(=O)(=O)c2cnccc12	ZINC000000019121	O=S2(=O)NCNc1ccncc12
CCn1c(C)[n+](CC)c2cc(C(=O)OC)c(C(=O)OC)cc12	ZINC000000499609	c2ccc1[nH]cnc1c2
CN1CNS(=O)(=O)c2ncccc12	ZINC000000019124	O=S2(=O)NCNc1cccnc12
Clc2ccc(C(=O)ONC(=O)Cn1cnc(Cl)c1Cl)cc2	ZINC000000160960	O=C(Cn1ccnc1)NOC(=O)c2ccccc2
NC[C@@H](O)c1cccc(O)c1	ZINC000000119283	c1ccccc1
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c2cccc(O)c2	ZINC000000036962	O=C2NC=CC(c1ccccc1)N2
CN3CCN(c1ncnc2nc[nH]c12)CC3	ZINC000000213869	C3CN(c1ncnc2nc[nH]c12)CCN3
Cc2cccc(NC(=O)CCN1CCC(C(N)=O)CC1)c2	ZINC000000176292	O=C(CCN1CCCCC1)Nc2ccccc2
N[C@@H](CO)C23CC1CC(CC(C1)C2)C3	ZINC000000289775	C1C2CC3CC1CC(C2)C3
Nc2c1[C@@H](O)CCCc1nc3ccccc23	ZINC000000003711	C3CCc2nc1ccccc1cc2C3
N(c1ccncc1)n3c(c2ccncc2)nnc3c4ccncc4	ZINC000000392387	N(c1ccncc1)n3c(c2ccncc2)nnc3c4ccncc4
O=c2c1CCNCCc1on2Cc3ccccc3	ZINC000000011254	O=c2c1CCNCCc1on2Cc3ccccc3
Cc1cc(=O)oc(C)c1C(=O)NC2CC(C)(C)NC(C)(C)C2	ZINC000000521842	O=C(NC1CCNCC1)c2ccc(=O)oc2
Oc2ccc(CN1CCSCC1)cc2	ZINC000000199869	C2CN(Cc1ccccc1)CCS2
Clc2cc(C[n+]1ccccc1)cc(Cl)n2	ZINC000000163059	C(c1ccncc1)[n+]2ccccc2
CC(=O)C(C(C)=O)=c2[nH]c1ccccc1o2	ZINC000000040599	C=c2[nH]c1ccccc1o2
O=C2CC(=O)n1ccccc1=N2	ZINC000000062265	O=C2CC(=O)n1ccccc1=N2
C3CC(c2nnc(c1ccccc1)o2)CCN3	ZINC000000154385	C3CC(c2nnc(c1ccccc1)o2)CCN3
CN(C)n2c(=O)c1ccccc1c2=O	ZINC000000099064	O=c1[nH]c(=O)c2ccccc12
NS(=O)(=O)c2ccc(CNC(=O)c1ccccc1Cl)cc2	ZINC000000030341	O=C(NCc1ccccc1)c2ccccc2
OCc1c(F)cccc1Cl	ZINC000000154651	c1ccccc1
C[C@@H]2CN(C(=O)c1ccccc1F)C[C@@H](C)O2	ZINC000000029747	O=C(N1CCOCC1)c2ccccc2
CC(=O)c2ccc(NC(=O)Cc1ccc(F)cc1)cc2	ZINC000000035927	O=C(Cc1ccccc1)Nc2ccccc2
Cc1n[nH]c(C)c1Br	ZINC000000035824	c1cn[nH]c1
O=C([C@@H]2CCC[N@@](Cc1ccncc1)C2)N3CCCCC3	ZINC000000212558	O=C(C2CCCN(Cc1ccncc1)C2)N3CCCCC3
Clc2ccc(Cn1ccc(N(=O)=O)n1)cc2	ZINC000000035828	C(c1ccccc1)n2cccn2
O=c2o[n+]1ccccc1s2	ZINC000000155922	O=c2o[n+]1ccccc1s2
CN1Cc2c(C1=O)n(C)c3ccccc23	ZINC000000040622	O=C1NCc2c1[nH]c3ccccc23
NC(=N)c1cccc(N(=O)=O)c1	ZINC000000155927	c1ccccc1
CCOC(=O)c4ccc3N[C@H](c1cccnc1)[C@H]2CC=C[C@H]2c3c4	ZINC000000037714	C1C=CC3C1C(c2cccnc2)Nc4ccccc34
Cc1ccc(N)c(C)n1	ZINC000000335270	c1ccncc1
CN(C)c3ccc(\C=C\CN2CCN(c1ccc(F)cc1)CC2)cc3	ZINC000000217104	C2CN(c1ccccc1)CCN2CC=Cc3ccccc3
Clc3ccc(NC(=O)O/N=C1\CCCC[C@@H]1Cn2ccnc2)cc3	ZINC000000124801	O=C(Nc1ccccc1)ON=C2CCCCC2Cn3ccnc3
Clc3ccc(NC(=O)c1cccnc1)c(C(=O)c2ccccc2)c3	ZINC000000029330	O=C(Nc1ccccc1C(=O)c2ccccc2)c3cccnc3
C[C@H](N)Cn1ccc3c1c2cc(C)ccc2C3(C)C	ZINC000000006387	C2c1ccccc1c3[nH]ccc23
COc4ccc3[C@H]2CC(c1ccc(Cl)cc1)=NN2C(=O)c3c4OC	ZINC000000064634	O=C3N2N=C(c1ccccc1)CC2c4ccccc34
Nc1ccc(C(F)(F)F)nc1	ZINC000000154421	c1ccncc1
C[N+](C)(C)c1cnc(N)nc1	ZINC000000080311	c1cncnc1
Cn3c(c2cc1ccc(O)cc1oc2=O)nc4ccccc34	ZINC000000042996	O=c2oc1ccccc1cc2c4nc3ccccc3[nH]4
O=C(CN1CCCC1)NC[C@H]3COc2ccccc2O3	ZINC000000366617	O=C(CN1CCCC1)NCC3COc2ccccc2O3
CCOC(=O)c1sc(C)c(C)c1NC(=O)c2ccccc2	ZINC000000050859	O=C(Nc1ccsc1)c2ccccc2
CCOC(=S)NC(C)(C)C	ZINC000000135795	nonring
Cc2ccc(NC(=N)Nc1nc(C(F)(F)F)cc(=O)[nH]1)cc2	ZINC000000449040	N=C(Nc1ccccc1)Nc2nccc(=O)[nH]2
Cn1cc[n+](C)c1COc2ccc(C=O)cc2	ZINC000000337697	C(Oc1ccccc1)c2ncc[nH]2
CN(C)OC(=O)c1cccc2n(C)c(C)c[n+]12	ZINC000000387445	c2cc[n+]1cc[nH]c1c2
C[N+]3=C(c1ccccc1)c2ccc(Br)n2CC3	ZINC000000337527	C3Cn1cccc1C(c2ccccc2)=N3
NC(COCc1ccccc1)COCc2ccccc2	ZINC000000097135	C(COCc1ccccc1)COCc2ccccc2
Cc3cc(C)n2nn[n+](Cc1ccccc1)c2n3	ZINC000000040970	C(c1ccccc1)[n+]2nnn3cccnc23
CC(C)c2c[n+]1cccc(C(=O)ON(C)C)c1n2C	ZINC000000387449	c2cc[n+]1cc[nH]c1c2
CCOc3ccc(C(=O)Nc2ccc(N1CCN(C)CC1)cc2)cc3	ZINC000000359996	O=C(Nc2ccc(N1CCNCC1)cc2)c3ccccc3
COc3cc2CCN[C@H](c1ccccc1O)c2cc3OC	ZINC000000034444	C3Cc1ccccc1C(c2ccccc2)N3
COc3cc2CCN(C(C)=O)[C@H](c1cccc(F)c1)c2cc3OC	ZINC000000034446	C3Cc1ccccc1C(c2ccccc2)N3
O[C@@H]2CSc1cccc[n+]1C2	ZINC000000497165	C2CSc1cccc[n+]1C2
Cc3cccc(NC(=O)c2sc1ccccc1c2Cl)c3	ZINC000000042193	O=C(Nc1ccccc1)c3cc2ccccc2s3
CN(C)Cc2cc(C)cc(C1(C)CCCCC1)c2O	ZINC000000109660	C2CCC(c1ccccc1)CC2
COC(=O)c1ccccc1	ZINC000000156868	c1ccccc1
CSc1ccc(C)[n+](C)n1	ZINC000000331597	c1ccnnc1
CC(C)[C@@H](N)C(=O)OC(C)(C)C	ZINC000000156862	nonring
OC3CCN(C(=O)Cn1c(=O)sc2ccc(Cl)cc12)CC3	ZINC000000005602	O=C(Cn1c(=O)sc2ccccc12)N3CCCCC3
O=C1CC[C@@]3(O1)OC(=O)c2ccccc23	ZINC000000032527	O=C1CCC3(O1)OC(=O)c2ccccc23
COc3ccc([C@H]2N(c1ccc(C)cc1)C(=O)C(O)=C2C(C)=O)cc3	ZINC000000070765	O=C2C=CC(c1ccccc1)N2c3ccccc3
Oc1ccccc1C(=O)NCc2cccnc2	ZINC000000036231	O=C(NCc1cccnc1)c2ccccc2
Cc1c(CCO)sc[n+]1C	ZINC000000156025	c1cscn1
CC(=O)c1ccco1	ZINC000000157401	c1ccoc1
CC(=O)c1cccs1	ZINC000000157402	c1ccsc1
NC(=O)C1CCCCC1	ZINC000000157404	C1CCCCC1
CN(C)c3ccc(n1nnnc1SCc2cc(F)cc(F)c2)cc3	ZINC000000118418	C(Sc1nnnn1c2ccccc2)c3ccccc3
Cc3ccc(OC[C@H](O)CN(Cc1ccccc1)c2ccccc2)cc3	ZINC000000072611	C(COc1ccccc1)CN(Cc2ccccc2)c3ccccc3
C[N@]2C[C@@]3(C=C)[C@@H]1C[C@H]4OC[C@@H]1[C@@H]2[C@@H]3[C@@]46C(=O)Nc5ccccc56	ZINC000000033878	O=C2Nc1ccccc1C26C4CC3C5CNC(C3CO4)C56
Cc2nc1ccccc1n2c3ccc(S(N)(=O)=O)cc3	ZINC000000033877	c3ccc(n1cnc2ccccc12)cc3
O=C2CCC[C@H]1[C@@H]3CCC[N@]4CCC[C@H](CN12)[C@H]34	ZINC000000489007	O=C2CCCC1C3CCCN4CCCC(CN12)C34
C3CN(c2nc(c1ccccc1)cs2)CCN3	ZINC000000105414	C3CN(c2nc(c1ccccc1)cs2)CCN3
COc4ccc(c3c[n+]2cn(Cc1ccccc1)c(C)c2c(=O)[nH]3)cc4	ZINC000000161368	O=c3[nH]c(c1ccccc1)c[n+]4cn(Cc2ccccc2)cc34
CC[C@@H]1NCCc2c1[nH]c3ccccc23	ZINC000000083156	C1Cc2c(CN1)[nH]c3ccccc23
COc1c(C)cnc(CO)c1C	ZINC000000169159	c1ccncc1
C[N@@](C[C@@H](O)COc2ccc1OCOc1c2)C3CCCCC3	ZINC000000307778	C3CCC(NCCCOc2ccc1OCOc1c2)CC3
C2CN(c1ccccn1)CCN2Cc3ccco3	ZINC000000240665	C2CN(c1ccccn1)CCN2Cc3ccco3
N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000000057505	c2ccc1[nH]ccc1c2
CCOC(=O)c1c(C)c(C)sc1/N=C/c2ccc(N(=O)=O)cc2	ZINC000000060039	C(=Nc1cccs1)c2ccccc2
COc2ccc(\C=c1\[nH]c(=S)[nH]c1=O)c3ccccc23	ZINC000000228911	O=c1[nH]c(=S)[nH]c1=Cc2cccc3ccccc23
CCOc2ccc(C(=O)Nc1cc(Cl)ccc1OC)cc2OCC	ZINC000000265943	O=C(Nc1ccccc1)c2ccccc2
Cc4ccc(N3CCN(Cc2ccc1OCC(=O)Nc1c2)CC3)cc4C	ZINC000000578176	O=C4COc3ccc(CN2CCN(c1ccccc1)CC2)cc3N4
C[N+](C)(C)C[C@@H](O)c1cccc(N(=O)=O)c1	ZINC000000207088	c1ccccc1
COc3ccc([C@@H]1NC(=N)NC(=N)N1c2ccc(C)cc2)cc3	ZINC000000146420	N=C3NC(c1ccccc1)N(c2ccccc2)C(=N)N3
Cc2[nH]c1ccc(Cl)cc1c2C3=CCNCC3	ZINC000000009350	C3CC(c1c[nH]c2ccccc12)=CCN3
CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2	ZINC000000001128	C(Nc1ccccn1)c2cccs2
Oc1ccc(Cl)c2CCCc12	ZINC000000001122	C2Cc1ccccc1C2
Cc1cc(O)ccc1Cl	ZINC000000001124	c1ccccc1
Cc2cccc(NC(=O)c1cccnc1)c2	ZINC000000029538	O=C(Nc1ccccc1)c2cccnc2
Nc2cc(c1ccc(F)cc1)nc(N)n2	ZINC000000082203	c2ccc(c1ccncn1)cc2
CC(C)(C)NC(=O)Cc1ccccc1	ZINC000000029532	c1ccccc1
CC2CCC(N1CCN(C=O)CC1)CC2	ZINC000000279796	C2CCC(N1CCNCC1)CC2
CC(C)(C)c1cc(N)nc(N)n1	ZINC000000082209	c1cncnc1
COc3ccc(C(=O)Cn1c(N)nc2ccccc12)cc3	ZINC000000508180	O=C(Cn1cnc2ccccc12)c3ccccc3
CN(C)C[C@@H]1CCCC[C@@H]1c2cccc(O)c2	ZINC000000021740	C2CCC(c1ccccc1)CC2
Oc1ccccc1C[N+](=O)c2ccccc2	ZINC000000159358	O=[N+](Cc1ccccc1)c2ccccc2
COC(=O)c3ccc(CSc2nc1ccccc1[nH]2)cc3	ZINC000000021747	C(Sc2nc1ccccc1[nH]2)c3ccccc3
C[C@@H]1CCc3c(C1)sc(/N=C/c2cccc(CC=C)c2O)c3C#N	ZINC000000064193	C3CCc2sc(N=Cc1ccccc1)cc2C3
C[N@@](CC(=O)N1CCCC1=O)Cc2ccccc2	ZINC000000027591	O=C1CCCN1C(=O)CNCc2ccccc2
CC[C@@H]1CCCCC(=O)N1C	ZINC000000160282	O=C1CCCCCN1
C[C@@H](Oc1ccccc1Br)C(=O)N2CCc3ccccc23	ZINC000000036206	O=C(COc1ccccc1)N2CCc3ccccc23
CC(C)N1CC[C@@H](O)N1C(=O)CC#N	ZINC000000039920	C1CNNC1
C[N+](C)(C)c1cccc(C(=O)NO)c1	ZINC000000398545	c1ccccc1
NC(=O)OC1(C#C)CCCCC1	ZINC000000001385	C1CCCCC1
NC(=N)c3ccc(N2CCC(C1CCN(CC(O)=O)CC1)CC2)cc3	ZINC000000015847	C3CC(C2CCN(c1ccccc1)CC2)CCN3
Clc2ccc(CC(=O)Nc1ccccc1C#N)cc2	ZINC000000030755	O=C(Cc1ccccc1)Nc2ccccc2
NC13C[C@@H]2C[C@H](C1)CC(ON(=O)=O)(C2)C3	ZINC000000546914	C1C2CC3CC1CC(C2)C3
NC1=NCCCCS1	ZINC000000021297	C1CCN=CSC1
CC(C)(C)NC[C@@H](O)COc1ccccc1c2ccc(NN)nn2	ZINC000000000658	c2ccc(c1cccnn1)cc2
Nc1c(C#N)cnn1C2CCCCC2	ZINC000000059901	C2CCC(n1cccn1)CC2
Clc2ccc(n1ccnc1)nn2	ZINC000000064998	c2cnnc(n1ccnc1)c2
CC(C)[N+](C)(C)C[C@@H](O)COc1cccc2ccccc12	ZINC000000000653	c2ccc1ccccc1c2
NC(=S)c1ncn2CCC(=S)Nc12	ZINC000000007604	S=C2CCn1cncc1N2
C[N+]1(C)CCC[C@@H]1COC(=O)C(O)(c2ccccc2)c3ccccc3	ZINC000000000651	O=C(OCC1CCCN1)C(c2ccccc2)c3ccccc3
CN(C)C3=NC[C@H](c2cc1ccccc1o2)C3	ZINC000000000657	C1C=NCC1c3cc2ccccc2o3
CN(C)CC(C)(C)CNC1CCN(C(C)=O)CC1	ZINC000000213111	C1CCNCC1
CC1(C)CC(=O)CC(=O)S1	ZINC000000126159	O=C1CCSC(=O)C1
CCOC(=O)Nc2ccc1OCOc1c2	ZINC000000063672	C2Oc1ccccc1O2
C/C(C[N@]1C[C@@H]3C[C@H](C1)c2cccc(=O)n2C3)=C/c4ccccc4	ZINC000000234604	O=c4cccc3C2CC(CN(CC=Cc1ccccc1)C2)Cn34
Clc3ccc(Oc1ccccc1C2=NCCN2)cc3	ZINC000000007981	C3CN=C(c1ccccc1Oc2ccccc2)N3
COCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000000037408	C2CCN1CCCCC1C2
Cc1cc(N(=O)=O)nn1C(=O)c2ccccc2F	ZINC000000037157	O=C(c1ccccc1)n2cccn2
Fc2ccc(NC1=NCCN1)cc2	ZINC000000098076	C2CN=C(Nc1ccccc1)N2
CN2CCN([C@H]1CC(=O)NC1=O)CC2	ZINC000019881969	O=C2CC(N1CCNCC1)C(=O)N2
CCOC(=O)N2CCN(C(=O)c1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000000102394	O=C(N1CCNCC1)c2ccccc2
CCOC(=O)Cn3cnc2sc1CCCCc1c2c3=O	ZINC000000037404	O=c2[nH]cnc3sc1CCCCc1c23
Cc2[nH]c1ccccc1c2C(=O)CC#N	ZINC000000090262	c2ccc1[nH]ccc1c2
C[C@@H](c1ccccc1)n3c(SCC(=O)N2CCOCC2)n[nH]c3=O	ZINC000000155247	O=C(CSc1n[nH]c(=O)n1Cc2ccccc2)N3CCOCC3
Cc1cc(=O)n(C)c(=O)n1CCCN2CCCC2	ZINC000000088569	O=c2ccn(CCCN1CCCC1)c(=O)[nH]2
Cc3nc(c2cccc(NS(=O)(=O)c1ccccc1)c2)cs3	ZINC000000050628	O=S(=O)(Nc2cccc(c1cscn1)c2)c3ccccc3
Cc4ccc([C@@H](Nc1cc(C)ccn1)c2c(C)[nH]c3ccccc23)cc4	ZINC000000072054	N(C(c1ccccc1)c2c[nH]c3ccccc23)c4ccccn4
C3CN2[C@H](c1ccccc1)CNC2=N3	ZINC000000000384	C3CN2C(c1ccccc1)CNC2=N3
CCc2ccc(C(=O)[C@H](C)CN1CCCC1)cc2	ZINC000000000387	O=C(CCN1CCCC1)c2ccccc2
CC(C)NC[C@@H](O)COc2cccc1CC=Cc12	ZINC000000000389	C1C=Cc2ccccc12
COCc2cc(OC(=O)N(C)C)nc3n(C)nc(c1cccs1)c23	ZINC000000094976	c3cnc2[nH]nc(c1cccs1)c2c3
Cc2cc(C)nc(SCCN1CCCC1)n2	ZINC000000191582	C2CCN(CCSc1ncccn1)C2
Cc2cn([C@@H]1CO[C@H](CO)S1)c(=O)[nH]c2=O	ZINC000000016386	O=c2ccn(C1COCS1)c(=O)[nH]2
CCS(=O)(=O)C(=c2[nH]c1ccccc1[nH]2)S(=O)(=O)CC	ZINC000000050999	C=c2[nH]c1ccccc1[nH]2
Oc2cc(NC(=O)c1cccnc1)ccc2c4nc3ccccc3s4	ZINC000000266856	O=C(Nc3ccc(c2nc1ccccc1s2)cc3)c4cccnc4
CN3C(=O)[C@@]1(CCN[C@H]1c2ccccc2)c4ccccc34	ZINC000000355023	O=C2Nc1ccccc1C23CCNC3c4ccccc4
C3CCN(C[C@@H]2CO[C@@H](c1ccco1)O2)CC3	ZINC000000171856	C3CCN(CC2COC(c1ccco1)O2)CC3
CCOC(=O)C3[C@@H](c1ccccc1)n2ncnc2N=C3c4ccccc4	ZINC000000065731	C3C(c1ccccc1)n2ncnc2N=C3c4ccccc4
C[C@@H](O)c2nc1ccc(Cl)cc1[nH]2	ZINC000000104392	c2ccc1[nH]cnc1c2
CNC(=O)N(C)c1nnc(C(C)(C)C)s1	ZINC000000043452	c1nncs1
Cc3ccc(CNc2oc(COc1ccc(F)cc1)nc2C#N)cc3	ZINC000000108097	C(Nc2cnc(COc1ccccc1)o2)c3ccccc3
Oc3ccc(NC1=NS(=O)(=O)c2ccccc12)cc3	ZINC000000051868	O=S3(=O)N=C(Nc1ccccc1)c2ccccc23
Cc1cc(Br)ccc1S(=O)(=O)N2CCOCC2	ZINC000000051869	O=S(=O)(N1CCOCC1)c2ccccc2
CC(=O)Oc1cc(C(=O)NC(C)(C)C)cc(C(=O)NC(C)(C)C)c1	ZINC000000051862	c1ccccc1
CN(C)c1cccc(F)c1C#N	ZINC000000156400	c1ccccc1
CC2(C)CC(=O)N=C(Nc1cccc(N(=O)=O)c1)C(=O)C2	ZINC000000048824	O=C2CCCC(=O)C(Nc1ccccc1)=N2
O=C(Nc2ccc(/C=C/c1ccccc1)cc2)c3ccccc3N(=O)=O	ZINC000000058851	O=C(Nc2ccc(C=Cc1ccccc1)cc2)c3ccccc3
Cc2ccc(CSC1=NCCN1)cc2	ZINC000000144261	C2CN=C(SCc1ccccc1)N2
Brc1ccc(C=O)cc1	ZINC000000039555	c1ccccc1
Cc2n(N)c1ccccc1[n+]2CC=C	ZINC000000440571	c2ccc1[nH]cnc1c2
NS(=O)(=O)c1ccc(Cl)cc1	ZINC000000004726	c1ccccc1
C[C@H]2C[C@H](C)CN(C(=O)c1ccccc1C)C2	ZINC000000029297	O=C(N1CCCCC1)c2ccccc2
COc3cc(c2n(C)c1ccccc1[n+]2C)ccc3O	ZINC000000225690	c3ccc(c2nc1ccccc1[nH]2)cc3
Cn2c([n+]1ccccc1)c(\C=N\NC(N)=S)sc2=O	ZINC000000206759	O=c2[nH]c([n+]1ccccc1)cs2
Cc2ccc([C@@H](O)c1cccnc1)o2	ZINC000000045881	C(c1cccnc1)c2ccco2
CC(C)(C)OC(=O)Nc1ccccc1N	ZINC000000039322	c1ccccc1
O=C(CCn2c(=O)c1ccccc1c2=O)Nc3nccs3	ZINC000000047735	O=C(CCn2c(=O)c1ccccc1c2=O)Nc3nccs3
NC(=N)NN=Cc1ccccc1Cl	ZINC000000128265	c1ccccc1
C[N@]1[C@H]4CC[C@@H]1CC(NC(=O)c2cc(C)c3ccccn23)C4	ZINC000000003818	O=C(NC1CC2CCC(C1)N2)c3ccc4ccccn34
CCC(CC)NC(=O)c1ccc(NC(C)=O)cc1	ZINC000000031664	c1ccccc1
O=C(CN1CCCC1)N2CCc3ccccc23	ZINC000000159547	O=C(CN1CCCC1)N2CCc3ccccc23
CN(C)CCCn2cnc3c(=O)oc1ccccc1c23	ZINC000000302249	O=c2oc1ccccc1c3[nH]cnc23
O=C2CCN(CCc1ccccc1)CC2	ZINC000000119408	O=C2CCN(CCc1ccccc1)CC2
C[C@@]3(c2ccc1OCOc1c2)NC(=O)NC3=O	ZINC000000078104	O=C3NC(c2ccc1OCOc1c2)C(=O)N3
Cc1conc1N[C@@H](c2cccs2)c4ccc3cccnc3c4O	ZINC000000038289	N(C(c2ccc1cccnc1c2)c3cccs3)c4ccon4
CC(C)CN2CCC(C(=O)NC[C@@H]1CCCO1)CC2	ZINC000000317523	O=C(NCC1CCCO1)C2CCNCC2
N#CN3Cc2cc1ccccc1nc2C3	ZINC000000027294	C2NCc3nc1ccccc1cc23
COC(=O)[C@H]1CCN(C#N)C1	ZINC000000027296	C1CCNC1
CC(=O)Nc1cc(C)nn1C	ZINC000000165819	c1cn[nH]c1
Nc1ccc(F)cc1N	ZINC000000152599	c1ccccc1
C[C@@H](C[N+](C)(C)C)OC(=O)C2(c1ccccc1)CCCC2	ZINC000000186601	C2CCC(c1ccccc1)C2
COc1ccccc1CCN	ZINC000000403214	c1ccccc1
O=c2[nH]c(c1cccnc1)ccc2C#N	ZINC000000128001	O=c2cccc(c1cccnc1)[nH]2
N=C2N[C@@H]1CS(=O)(=O)C[C@@H]1S2	ZINC000009356844	N=C2NC1CS(=O)(=O)CC1S2
Cc3cc1COC(=O)c1c(Sc2ccc(C(C)(C)C)cc2)n3	ZINC000000028968	O=C2OCc3ccnc(Sc1ccccc1)c23
CC(C)[C@@H]1N(C(C)=O)CCN1S(=O)(=O)c2ccc(C)cc2	ZINC000000028960	O=S(=O)(N1CCNC1)c2ccccc2
CCOC(=O)C1=C(CN(CC)CC)N(C)C(=O)N[C@@H]1c2ccccc2	ZINC000000033404	O=C2NC=CC(c1ccccc1)N2
Nc1cc(F)c(F)cc1F	ZINC000000409371	c1ccccc1
Nc1c(F)ccc(F)c1F	ZINC000000409370	c1ccccc1
CNc2cc(C)nc(N1CCOCC1)n2	ZINC000000073485	C2CN(c1ncccn1)CCO2
CCOC(=O)c1c(C)c(C)sc1NC(=S)Nc2cc(C)ccn2	ZINC000000160369	S=C(Nc1ccccn1)Nc2cccs2
OCc2cc1ccccc1o2	ZINC000000158631	c2ccc1occc1c2
NCc2ccc1occc1c2	ZINC000000158637	c2ccc1occc1c2
Nn2cn[n+](CC(=O)c1ccccc1)c2	ZINC000000262283	O=C(C[n+]1c[nH]cn1)c2ccccc2
Cc1ccc(Cl)cc1NC(=O)C[C@@H](NCc2ccccn2)C(O)=O	ZINC000000202874	O=C(CCNCc1ccccn1)Nc2ccccc2
C[C@@]1(CO)CCO1	ZINC000000057713	C1COC1
CCOc2ccc1ccc(=O)oc1c2	ZINC000000057719	O=c2ccc1ccccc1o2
CC(C)(N)Cc1ccc(F)cc1	ZINC000000156299	c1ccccc1
Clc3cccc(N2CCN(C(=O)[C@@H]1CCCN1)CC2)c3	ZINC000000390540	O=C(C1CCCN1)N3CCN(c2ccccc2)CC3
C[C@@H](NCc1ccccc1)[C@@H]3COc2ccccc2O3	ZINC000000174660	C(NCc1ccccc1)C3COc2ccccc2O3
CCOC(=O)[C@H]1CCC[N@]1C	ZINC000000280745	C1CCNC1
CC(C)c2ccc(OC(=O)COc1ccc(Br)cc1)cc2	ZINC000000129603	O=C(COc1ccccc1)Oc2ccccc2
C[C@H]2Cc1ccccc1N2C(=O)Cn3nc(N(=O)=O)cc3C	ZINC000000037369	O=C(Cn1cccn1)N2CCc3ccccc23
CN(C)c3cc[n+](Cn2c(=O)c1ccccc1c2=O)cc3	ZINC000000480195	O=c2n(C[n+]1ccccc1)c(=O)c3ccccc23
COc1ccccc1\C=C\CN2CCSCC2	ZINC000000183393	C2CN(CC=Cc1ccccc1)CCS2
N=C2N[C@@H](Cc1cccs1)CS2	ZINC000000027432	N=C2NC(Cc1cccs1)CS2
Cc1ccccc1NN	ZINC000000085252	c1ccccc1
Cc2nc1ccccc1nc2C=O	ZINC000000085258	c2ccc1nccnc1c2
COc2cc1CC(=O)Nc1cc2OC	ZINC000000110446	O=C2Cc1ccccc1N2
COC(=O)c1ccccc1NC(=O)c2c(N(=O)=O)cnn2C	ZINC000000037094	O=C(Nc1ccccc1)c2ccn[nH]2
Fc2ccc(C1=CCCNC1)cc2	ZINC000000019100	C2CC=C(c1ccccc1)CN2
Cc3cccc(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc2ccccc2)c3	ZINC000000062974	O=C(Nc1ccccc1)C2CCCN2C(=O)Oc3ccccc3
CC[C@@H](CO)NC(=O)[C@@H]2C[N@@](C)[C@H]1Cc3cn(C)c4cccc(C1=C2)c34	ZINC000000601286	C4CC=C1C(Cc2c[nH]c3cccc1c23)N4
CN4C(=O)C[C@H](N3CCC(c2nc1ccccc1[nH]2)CC3)C4=O	ZINC000000112179	O=C4CC(N3CCC(c2nc1ccccc1[nH]2)CC3)C(=O)N4
CC(=O)c2ccc1[nH]c(=O)sc1c2	ZINC000000058191	O=c2[nH]c1ccccc1s2
CC(=O)n1c(=O)sc2ccccc12	ZINC000000058190	O=c2[nH]c1ccccc1s2
Cc1ccccc1N4CCN(CCc3nnc2CCCCn23)CC4	ZINC000000001246	C1CCn2c(C1)nnc2CCN4CCN(c3ccccc3)CC4
Cc2c(C)c(=O)c(Cc1cccnc1)c(C)c2=O	ZINC000000004541	O=c2ccc(=O)c(Cc1cccnc1)c2
CC(=O)Oc1ccccc1N2C(C)=CC(C)(C)NC2=S	ZINC000000051009	S=C1NCC=CN1c2ccccc2
CC(C)(CO)NC(=O)c1ccc(Cl)cc1	ZINC000000051005	c1ccccc1
CC1(C)CC(O)CC(C)(C)N1O	ZINC000000005575	C1CCNCC1
C2[C@@H](c1ccccc1)N=c3sccn23	ZINC000000000044	C2C(c1ccccc1)N=c3sccn23
C[C@@H](O)c2ccc(n1cnnn1)cc2	ZINC000000052925	c2ccc(n1cnnn1)cc2
COc1cc(CC=C)c(OC)c2OCOc12	ZINC000000000048	C2Oc1ccccc1O2
CCOC(=O)N2CCC(NC(=O)CNC(=O)c1cccs1)CC2	ZINC000000261705	O=C(CNC(=O)c1cccs1)NC2CCNCC2
COc3ccc(/C=C/C(=O)NCCc2nc1ccccc1[nH]2)cc3	ZINC000000036941	O=C(NCCc2nc1ccccc1[nH]2)C=Cc3ccccc3
C[C@@H]1C[C@@H](O)CCN1	ZINC000000033574	C1CCNCC1
C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CCC(\C)=C\Cc2c(O)cc(C)c(C=O)c2O	ZINC000000600484	O=C2CCCC(CCC=CCc1ccccc1)C2
O=c2cc(N1CCNCC1)nc3ccccn23	ZINC000000006940	O=c2cc(N1CCNCC1)nc3ccccn23
Cc2n[n+]1cccnc1s2	ZINC000000391038	c2cnc1scn[n+]1c2
COCc1c(N)c(C)nc(Cl)c1C#N	ZINC000000035808	c1ccncc1
COc3ccc([C@@H]1NCC[C@@]2(O)CCCC[C@@H]12)cc3OC	ZINC000000301375	C1CCC2C(C1)CCNC2c3ccccc3
CN(C)CCOc1ncncc1F	ZINC000000392059	c1cncnc1
Nc2cnn(c1ccccc1)c(=O)c2Cl	ZINC000000035807	O=c1cccnn1c2ccccc2
CC1(C)[C@@H]5CC[C@@]1(C)C[N@@](C[C@H](O)Cn3c2ccccc2c4ccccc34)C5	ZINC000000626724	C(CN2CC1CCC(C1)C2)Cn4c3ccccc3c5ccccc45
COc2cccc(NC(=O)COc1ccccc1OC)c2	ZINC000000039139	O=C(COc1ccccc1)Nc2ccccc2
C[C@@H](CCN1CCN(C=O)CC1)c2ccccc2	ZINC000000214581	C(CN1CCNCC1)Cc2ccccc2
COc2ccc(OC)c3c(C)cc(N1CCC[N@@](C)CC1)nc23	ZINC000000439005	C3CNCCN(c2ccc1ccccc1n2)C3
CC(C)(C)c2ccc(C(=O)Nc1cccnc1)cc2	ZINC000000039135	O=C(Nc1cccnc1)c2ccccc2
C[n+]5cc2c1OCOc1ccc2c6ccc4cc3OCOc3cc4c56	ZINC000000000706	C6Oc5cc4ccc3c2ccc1OCOc1c2cnc3c4cc5O6
Clc2cc1[nH]c(=O)c(=O)[nH]c1cc2n3cccc3	ZINC000000017999	O=c3[nH]c2ccc(n1cccc1)cc2[nH]c3=O
Oc1ccc(F)c(F)c1F	ZINC000000389597	c1ccccc1
Cc1cc(F)ccc1O	ZINC000000389593	c1ccccc1
CSC2=N[C@@H]1CCCC[C@H]1N2	ZINC000000124925	C2CCC1N=CNC1C2
CNC(=O)c1ccsc1	ZINC000000335256	c1ccsc1
O=Cc2ccc(N1CCOCC1)cc2	ZINC000000031321	C2CN(c1ccccc1)CCO2
CC(=O)C[C@@H](O)c1ccccn1	ZINC000000050871	c1ccncc1
CC(C)(C)c1nc(NN)c(Br)c(C(C)(C)C)n1	ZINC000000331413	c1cncnc1
COC(=O)c3ccc(Nc1cc(C)nc2ccc(C)cc12)cc3	ZINC000000076997	N(c1ccccc1)c2ccnc3ccccc23
Cc1n[nH]c(C)c1NC=O	ZINC000000039521	c1cn[nH]c1
FC(F)(F)c1cccnc1N2CCCNCC2	ZINC000000152368	C2CNCCN(c1ccccn1)C2
C[C@]2(C(O)=O)CC(=O)n1ccccc1=N2	ZINC000000969097	O=C1CCN=c2ccccn12
O=C(N2Cc1ccccc1NC2=S)c3cccs3	ZINC000000040911	O=C(N2Cc1ccccc1NC2=S)c3cccs3
Nc2c(c1ccccc1)nc3ccccn23	ZINC000000032671	c3ccc(c2cn1ccccc1n2)cc3
S=C2NCCN(c1ccccc1)N2	ZINC000000025270	S=C2NCCN(c1ccccc1)N2
Cc1csc(N)c1C(N)=O	ZINC000000080372	c1ccsc1
COc3ccc(N2CCN(Cc1cccc(C)c1)CC2)cc3	ZINC000000202023	C2CN(c1ccccc1)CCN2Cc3ccccc3
CS(=O)(=O)N4CCN(C2C1CC3CC(C1)CC2C3)CC4	ZINC000000285107	C4CN(C2C1CC3CC(C1)CC2C3)CCN4
C[C@@H](NC2CCN(CCc1ccccc1)CC2)c3ccc(F)cc3	ZINC000000213915	C2CN(CCc1ccccc1)CCC2NCc3ccccc3
C[C@@H](Oc1c(Cl)cccc1Cl)C2=NCCN2	ZINC000000005626	C2CN=C(COc1ccccc1)N2
C[C@@H](CN1CCCC1)OC(=O)c2ccc(C)cc2	ZINC000000210644	O=C(OCCN1CCCC1)c2ccccc2
Cc1cccc(C)c1OC[C@H](O)Cn3c2ccccc2c4ccccc34	ZINC000000244824	C(COc1ccccc1)Cn3c2ccccc2c4ccccc34
CCN(CC)CC(=O)Nc1ccc(Br)cc1	ZINC000000152107	c1ccccc1
CCN(CC)CC(=O)Nc1cc(Cl)ccc1Cl	ZINC000000152106	c1ccccc1
Cc2cc(C)n1nc(C)c(C#N)c1n2	ZINC000000024499	c2cnc1ccnn1c2
CC(C)(O)[C@@]2(C)NCCc1ccccc12	ZINC000000090894	C2Cc1ccccc1CN2
CC(=O)O[C@@H]2CCN[C@@H]1CCCC[C@H]12	ZINC000000127745	C2CCC1NCCCC1C2
C[C@@H](Cc1ccc(F)cc1)N2CCC(C(N)=O)CC2	ZINC000000213302	C2CCN(CCc1ccccc1)CC2
Cc1cccc(C)c1OCC2CNC2	ZINC000000016483	C1NCC1COc2ccccc2
O=C1CCCCN1Cc2ccc[nH]2	ZINC000000023055	O=C1CCCCN1Cc2ccc[nH]2
CC(C)(C)NCC(=O)Nc3c1CCCc1nc2CCCc23	ZINC000000198574	C3Cc2cc1CCCc1nc2C3
CO/N=c1\c(=O)n(C)c2ccccc12	ZINC000000086530	N=c1c(=O)[nH]c2ccccc12
NNc2ncnc3c1ccccc1[nH]c23	ZINC000000506586	c1ccc3c(c1)[nH]c2cncnc23
CN(C)c1cc(C)nc(N)c1C#N	ZINC000000192637	c1ccncc1
COc1nn(C[C@H](C)N)c3c1ccc2occc23	ZINC000000017686	c3cc2c(ccc1cn[nH]c12)o3
CC(C)(C)NC[C@@H](O)c1cc(O)cc(O)c1	ZINC000000002281	c1ccccc1
O=C(Cn2ccc(=NCc1ccccc1)cc2)c3cccc(N(=O)=O)c3	ZINC000000281356	O=C(Cn2ccc(=NCc1ccccc1)cc2)c3ccccc3
COc2ccc(N[C@@H]1CC(=O)NC1=O)cc2	ZINC000000101294	O=C2CC(Nc1ccccc1)C(=O)N2
Cc1cc(Cl)n(C)n1	ZINC000000159481	c1cn[nH]c1
Oc1cc(F)ccc1Br	ZINC000000389860	c1ccccc1
COC(=O)C1=C(C)NC(=O)C[C@@H]1c2ccc(C)c(N(=O)=O)c2	ZINC000000082041	O=C2CC(c1ccccc1)C=CN2
CN(C(=O)Nc1cccc(N(=O)=O)c1)c2cccc(Cl)c2	ZINC000000033232	O=C(Nc1ccccc1)Nc2ccccc2
NC(=S)Nc2ccc1CCCc1c2	ZINC000000069968	C2Cc1ccccc1C2
C[C@@H]2CN(c1cc(N(=O)=O)ccc1Cl)C[C@@H](C)N2	ZINC000000228935	C2CN(c1ccccc1)CCN2
N=C1N[C@H](C#C)Nc2ccccc12	ZINC000000022234	N=C1NCNc2ccccc12
Cc2onc(NS(=O)(=O)c1ccc(N)cc1)c2I	ZINC000000538392	O=S(=O)(Nc1ccon1)c2ccccc2
CC2(C)Nc1c(N)cccc1[N+]2=O	ZINC000000439835	O=[N+]1CNc2ccccc12
Cc1[n+](CC#C)ccn2cccc12	ZINC000000270651	c2cc1cnccn1c2
C[C@@H](Oc2ccc1c(C)cc(=O)oc1c2)C(=O)Nc3nnc(C)s3	ZINC000000150857	O=C(COc2ccc1ccc(=O)oc1c2)Nc3nncs3
CN(C)CCN3C[C@@H](C(=O)NC2CCN(Cc1ccccc1)CC2)CCC3=O	ZINC000020206436	O=C3CCC(C(=O)NC2CCN(Cc1ccccc1)CC2)CN3
Cc1ncc(Cl)c(C(N)=O)n1	ZINC000000039499	c1cncnc1
Cc2cc(C)n(C1=NCCN1)n2	ZINC000000140596	C2CN=C(n1cccn1)N2
O=C1NCCCC[C@@H]1NC3CCN(Cc2ccccc2)CC3	ZINC000004022953	O=C1NCCCCC1NC3CCN(Cc2ccccc2)CC3
CC[C@@H](C)c1ccc(NS(C)(=O)=O)cc1	ZINC000000029514	c1ccccc1
CN(C)CCNC(=O)c1c(C)onc1c2ccccc2	ZINC000000155132	c2ccc(c1ccon1)cc2
CS(=O)(=O)N2CCN(c1cccc(Cl)c1)CC2	ZINC000000029519	C2CN(c1ccccc1)CCN2
CS(=O)(=O)Nc2ccc(OCc1ccccc1)cc2	ZINC000000029518	C(Oc1ccccc1)c2ccccc2
C[C@@H](COc1ccccc1)NC(=O)CN2CCCC2	ZINC000000394453	O=C(CN1CCCC1)NCCOc2ccccc2
CN(\C=C\N(=O)=O)c1ccccc1	ZINC000000050277	c1ccccc1
C[C@H](N(c1ccccc1)S(C)(=O)=O)C(=O)NC2CCCCC2	ZINC000000080482	O=C(CNc1ccccc1)NC2CCCCC2
Nc2n[nH]c3c(c1ccccc1C(F)(F)F)[nH][nH]n23	ZINC000000038202	c3ccc(c1[nH][nH]n2cn[nH]c12)cc3
COc4cc([C@@H]1NCCc2c1[nH]c3ccccc23)ccc4O	ZINC000000189597	C4Cc1c([nH]c2ccccc12)C(c3ccccc3)N4
N[C@H](Cc1ccccn1)c2ccco2	ZINC000000015861	C(Cc1ccco1)c2ccccn2
CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3	ZINC000000591998	O=C(Cc1ccccc1)NC2CCCCC2N3CCCC3
CCn3nc(c1cccnc1)c2ccccc2c3=O	ZINC000000005882	O=c2[nH]nc(c1cccnc1)c3ccccc23
NC(=O)CCc1cc[nH]c1	ZINC000000005886	c1cc[nH]c1
CC(C)(C)[C@@H](O)CN1CCCC1	ZINC000000106421	C1CCNC1
O=C(CCn2c(=O)c1ccccc1c2=O)NC3CCCC3	ZINC000000045191	O=C(CCn2c(=O)c1ccccc1c2=O)NC3CCCC3
C[C@@H](Cn2c(=O)c1cccnc1[nH]c3ccccc23)N(C)C	ZINC000000000671	O=c2[nH]c1ccccc1[nH]c3ncccc23
CCN(CC)C[C@H]2COc1ccccc1O2	ZINC000000000674	C2COc1ccccc1O2
Cc2ccc(C(=O)Nc1nnc(C)s1)cc2	ZINC000000040346	O=C(Nc1nncs1)c2ccccc2
CC[C@H](c1ccccc1)c2noc(CCN(CC)CC)n2	ZINC000000000678	C(c1ccccc1)c2ncon2
Clc1ccccc1/C=C/C=c3\c(=O)[nH]n(c2ccccc2)c3=O	ZINC000000050606	O=c2[nH]n(c1ccccc1)c(=O)c2=CC=Cc3ccccc3
C[N+](C)(C)Cc1ccco1	ZINC000000001500	c1ccoc1
CN(Cc1ccccc1)C(=O)COc2cc(C)c(Cl)c(C)c2	ZINC000000063699	O=C(COc1ccccc1)NCc2ccccc2
CC3(C)Oc1ccc(C#N)cc1[C@H](OC2=CC(=O)CC2)[C@H]3O	ZINC000000004023	O=C3CCC(OC1CCOc2ccccc12)=C3
Clc3ccc(C(=O)ON=C(c1cccs1)c2cccs2)cc3	ZINC000000133340	O=C(ON=C(c1cccs1)c2cccs2)c3ccccc3
CN(C)CCNC(=O)c1cc(C)cc(C)c1	ZINC000000496685	c1ccccc1
CCCc1cc(C)cc(N)n1	ZINC000000021814	c1ccncc1
S=C(Nc1ccccc1)C#N	ZINC000000155222	c1ccccc1
CCOC(=O)c2c(C)nn(c1ccccc1)c2N	ZINC000000037420	c2ccc(n1cccn1)cc2
COC(=C)C[N+](C)(C)C	ZINC000000000457	nonring
Cc2cc[n+](Cc1cnc(C)nc1N)cc2	ZINC000000251478	C(c1cncnc1)[n+]2ccccc2
Clc1ccccc1C(=O)N=C2NCCCCCN2	ZINC000000045440	O=C(N=C1NCCCCCN1)c2ccccc2
CCNc1nn[nH]c1c2ccccc2	ZINC000000040123	c2ccc(c1cnn[nH]1)cc2
O=C2NCC[N@]1CCC[C@H]12	ZINC000000254952	O=C2NCCN1CCCC12
CCOC(=O)c1csc(CCN)n1	ZINC000000217376	c1cscn1
COc3ccc2n(c1ccccc1)cnc2c3	ZINC000000007489	c3ccc(n1cnc2ccccc12)cc3
Cn3c(=O)n(C)c2oc(=O)c(NC(=O)c1cccs1)cc2c3=O	ZINC000000031865	O=C(Nc2cc1c(=O)[nH]c(=O)[nH]c1oc2=O)c3cccs3
O=N(=O)c2ccc1CCNc1c2	ZINC000000153773	C2Cc1ccccc1N2
Cn3[nH]c2nn(c1ccc(Br)cc1)[nH]c2c3N	ZINC000000031868	c3ccc(n2nc1[nH][nH]cc1[nH]2)cc3
COC(=O)c2cc1cc(S(C)(=O)=O)ccc1[nH]2	ZINC000000153778	c2ccc1[nH]ccc1c2
O[C@@H]3CSCc2nc1ccccc1n2C3	ZINC000000099327	C3CSCc2nc1ccccc1n2C3
C[N+](C)(C)Cn2c(=O)c1ccccc1c2=O	ZINC000000164221	O=c1[nH]c(=O)c2ccccc12
Cc2cccc(NC1=NCCN1)c2C	ZINC000000007221	C2CN=C(Nc1ccccc1)N2
C[C@@H](NC(=S)Nc1ccc(C#N)nc1)C(C)(C)C	ZINC000000007228	c1ccncc1
C[N+](C)(C)C[C@@H](O)COc1ccccc1	ZINC000000173783	c1ccccc1
CS(=O)(=O)c2ccc(N1CCCCC1)c(N)c2	ZINC000000154170	C2CCN(c1ccccc1)CC2
CCOC(=O)C3(O)c1ccccc1c2ccccc23	ZINC000000043477	C2c1ccccc1c3ccccc23
COC(=O)c1ccccc1S(=O)(=O)C2CCNCC2	ZINC000000154174	O=S(=O)(C1CCNCC1)c2ccccc2
Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1C	ZINC000000043473	O=c1cc[nH]c(=O)[nH]1
Cc3ccc(NC2=NC(=N)NC1(CCCCC1)N2)c(C)c3	ZINC000000203698	N=C3NC1(CCCCC1)NC(Nc2ccccc2)=N3
OC(=O)Cc1coccc1=O	ZINC000000006280	O=c1ccocc1
NC(=O)Nc2ccc1n[nH]cc1c2	ZINC000000091119	c2ccc1n[nH]cc1c2
C/N=C(/N(C)C)c1ccc(N(=O)=O)cc1	ZINC000000608749	c1ccccc1
C[n+]3cccc(c2nc1ccccc1[nH]2)c3	ZINC000000242376	c3cncc(c2nc1ccccc1[nH]2)c3
CN1C[C@@H](O)C[n+]2c1sc3ccccc23	ZINC000000375165	C3CNc2sc1ccccc1[n+]2C3
CC(=O)c1ccc(O)cc1	ZINC000000330136	c1ccccc1
C[N+](C)(C)/C=C/c1ccc(N(=O)=O)o1	ZINC000000162095	c1ccoc1
C[C@@H]2N(CCC(N)=O)c1ccccc1C2(C)C	ZINC000000052127	C2Cc1ccccc1N2
CN(C)CCNC(=O)Cc1ccccc1	ZINC000000451723	c1ccccc1
NNc1cc(F)ccc1F	ZINC000000153197	c1ccccc1
NNc1cc(Cl)cc(Cl)c1	ZINC000000153196	c1ccccc1
CS(=O)(=O)Nc3ccc([C@H](O)CN2CCN(c1ccncc1)CC2)cc3	ZINC000013888718	C2CN(c1ccncc1)CCN2CCc3ccccc3
Cc2nc1sccn1c2c4csc(Nc3ccccn3)n4	ZINC000000034767	N(c1ccccn1)c4nc(c2cnc3sccn23)cs4
NC(=O)c3ccc(NC(=O)CN2CCN(c1ccccn1)CC2)cc3	ZINC000000224490	O=C(CN2CCN(c1ccccn1)CC2)Nc3ccccc3
NNc1ccc(F)c(Cl)c1	ZINC000000153199	c1ccccc1
CCC(=O)Nc2nnc(c1ccccc1Cl)s2	ZINC000000103576	c2ccc(c1nncs1)cc2
COc1ccc(S(N)(=O)=O)cc1C(=O)NC2CCN(C)CC2	ZINC000000347658	O=C(NC1CCNCC1)c2ccccc2
CN4CCN(c2ncnc3sc(C)c(c1ccccc1)c23)CC4	ZINC000000038310	C4CN(c2ncnc3scc(c1ccccc1)c23)CCN4
N[C@H]2[C@@H](CO)COc3ccc1ccccc1c23	ZINC000000167384	C3COc2ccc1ccccc1c2C3
C[N@]2CC[C@@](O)(c1ccccc1)C(C)(C)C2	ZINC000000242700	C2CC(c1ccccc1)CCN2
CC(=O)N2CCC(NCCc1ccc(F)cc1)CC2	ZINC000000214057	C2CC(NCCc1ccccc1)CCN2
C1CCc4n(CC1)cc(c3ccc2OCCOc2c3)[n+]4c6ccc5OCCOc5c6	ZINC000000622839	C1CCc4n(CC1)cc(c3ccc2OCCOc2c3)[n+]4c6ccc5OCCOc5c6
C[C@@H]3CCC[C@@H](N2CCN(Cc1cccc(N(=O)=O)c1)CC2)C3	ZINC000000178692	C3CCC(N2CCN(Cc1ccccc1)CC2)CC3
CN(C)CCNc2cc(C)c1ccccc1n2	ZINC000000015672	c2ccc1ncccc1c2
O=C(Nc1ccccc1C#N)C2CC2	ZINC000000070359	O=C(Nc1ccccc1)C2CC2
CCC[C@H](c1ccncc1)n2ccc3ccccc23	ZINC000000015679	C(c1ccncc1)n2ccc3ccccc23
C3CO[C@H](CNCc2ccc1OCOc1c2)C3	ZINC000000299714	C3COC(CNCc2ccc1OCOc1c2)C3
CCOC(=O)c3ccc(Nc2cc(C)nc(N1CCOCC1)n2)cc3	ZINC000000123030	C3CN(c2nccc(Nc1ccccc1)n2)CCO3
COc2ccc(NS(=O)(=O)c1ccc(NC(C)=O)cc1)cn2	ZINC000000114123	O=S(=O)(Nc1cccnc1)c2ccccc2
OCC#CCNC(=O)C(F)(F)F	ZINC000001614435	nonring
CSc2nc1ccccc1n2Cc3ccccn3	ZINC000000003833	C(c1ccccn1)n2cnc3ccccc23
CC(C)N[C@@H](C)Cc1ccc(I)cc1	ZINC000000003834	c1ccccc1
CCSc2nc1ccccc1n2Cc3ccc(Cl)cc3Cl	ZINC000000068113	C(c1ccccc1)n2cnc3ccccc23
O[C@@H](CN[C@@H]1CN2CCC1CC2)COc3cccc4ccccc34	ZINC000000403736	C(CNC1CN2CCC1CC2)COc3cccc4ccccc34
Nc1ccc(N)c(N)c1	ZINC000000053658	c1ccccc1
CCN2CCC(NC[C@@H]1CCCO1)CC2	ZINC000000220867	C2COC(CNC1CCNCC1)C2
CSc2c(c1ccccc1)c(N)nn2S(=O)(=O)c3ccccc3	ZINC000000069209	O=S(=O)(c1ccccc1)n3cc(c2ccccc2)cn3
CC(C)NC(=O)Oc1ccccc1	ZINC000000135161	c1ccccc1
CCOC(CN1CCCCC1)OCC	ZINC000000032338	C1CCNCC1
C[C@H](c1ccccc1)n2c(=O)ccc2=O	ZINC000000032332	O=c1ccc(=O)n1Cc2ccccc2
CNC(=O)c1ccc(C)c(N(=O)=O)c1	ZINC000000102029	c1ccccc1
OCc1nccc2ccccc12	ZINC000000158612	c2ccc1cnccc1c2
Nc2cc(N)nc(SCC(=O)NC1CCCC1)n2	ZINC000000410873	O=C(CSc1ncccn1)NC2CCCC2
COc3ccc(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)cc3	ZINC000000329105	O=C(CCc1c[nH]c2ccccc12)Nc3ccccc3
Cc1csc(C)[n+]1C	ZINC000000160217	c1cscn1
Cc2ccc1c(C)c(C#N)c(=O)oc1c2	ZINC000000057772	O=c2ccc1ccccc1o2
Cn3c1C(=N\O)\CCCc1c4cc(C2CCCCC2)ccc34	ZINC000000028945	N=C1CCCc3c1[nH]c4ccc(C2CCCCC2)cc34
CSc1nccc2ccccc12	ZINC000000023550	c2ccc1cnccc1c2
Fc5ccc(N4CCN(C2C1CC3CC(C1)CC2C3)CC4)cc5	ZINC000000182064	C2CN(c1ccccc1)CCN2C4C3CC5CC(C3)CC4C5
Cn3c2C(=O)C(c1ccc(Cl)cc1)Nc2c(=O)n(C)c3=O	ZINC000000033680	O=C2C(c1ccccc1)Nc3c2[nH]c(=O)[nH]c3=O
COc1nc(C)cc(C)c1C#N	ZINC000000075099	c1ccncc1
CCOc2ccc(/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1)cc2	ZINC000000207517	O=C(Nc1ccccc1)C=Cc2ccccc2
Cc2csc3n(C)c1ccccc1[n+]23	ZINC000000005163	c1ccc2c(c1)[nH]c3scc[n+]23
COc2ccc(C1(CN)CCOCC1)cc2OC	ZINC000000295384	C2CC(c1ccccc1)CCO2
CN1CCCN2CCCN=C12	ZINC000000155035	C2CNC1=NCCCN1C2
C[N@]1[C@H]3CC[C@@H]1C=C(c2ccc(Cl)cc2)C3	ZINC000000022173	C1CC3NC1CC(c2ccccc2)=C3
CC[N@]1CCC[C@@H]1CNC(=O)c2cc(N)ccc2OC	ZINC000000347683	O=C(NCC1CCCN1)c2ccccc2
CCOc2ccc(/C=C/C(=O)Nc1ccccc1C(N)=O)cc2OC	ZINC000000022178	O=C(Nc1ccccc1)C=Cc2ccccc2
CCCN2CCC(Nc1cc(OC)cc(OC)c1)CC2	ZINC000000182396	C2CC(Nc1ccccc1)CCN2
COc2cc4CC[N@](C)[C@H]3Cc1cccc(OC)c1c(c2O)c34	ZINC000000174787	C2Cc3cccc4c1ccccc1CC(N2)c34
COc4ccc3CC[C@H](C[C@]2(O)C(=O)Nc1ccccc12)C(=O)c3c4	ZINC000000125084	O=C2Nc1ccccc1C2CC4CCc3ccccc3C4=O
Clc3ccc2sc(S/C=C/C(=O)c1ccccc1)nc2c3	ZINC000000068406	O=C(C=CSc2nc1ccccc1s2)c3ccccc3
CCN(CC)CCOc1ccc(Br)cc1	ZINC000000182398	c1ccccc1
CC(C)(C)c3ccc(NCc2cc1OCOc1cc2N(=O)=O)cc3	ZINC000000049034	C3Oc2ccc(CNc1ccccc1)cc2O3
COc2cccc(NC(=S)N1CCOCC1)c2	ZINC000000079387	S=C(Nc1ccccc1)N2CCOCC2
C(NCc1ccco1)c2ccccn2	ZINC000000185755	C(NCc1ccco1)c2ccccn2
O=c2[nH]c1ccccc1cc2C[N@]4CCc3ccccc3C4	ZINC000000018918	O=c2[nH]c1ccccc1cc2CN4CCc3ccccc3C4
CN(C)CCc2cc1OCOc1c4c2ccc3ccccc34	ZINC000000187287	C4Oc3ccc2ccc1ccccc1c2c3O4
Cc2cc1c(=O)n(N)c(C)nc1s2	ZINC000000059003	O=c1[nH]cnc2sccc12
CCOC(=O)[C@@]2(c1ccccc1)CCC=C[C@@H]2N(C)C	ZINC000000001268	C2CC(c1ccccc1)CC=C2
CN([C@@H]2CC[C@]1(CCCO1)C[C@H]2N3CCCC3)C(=O)Cc4cccc5occc45	ZINC000000597356	O=C(Cc1cccc2occc12)NC4CCC3(CCCO3)CC4N5CCCC5
O=C(C1CC1)c2cccs2	ZINC000000039684	O=C(C1CC1)c2cccs2
C[C@H]1CC=NN1C(=O)c2cccnc2	ZINC000000004568	O=C(N1CCC=N1)c2cccnc2
Cn1c(=N)sc2ccccc12	ZINC000000039689	N=c2[nH]c1ccccc1s2
Cc1ncc(CO)c(C)c1O	ZINC000000001264	c1ccncc1
COC(=O)[C@@H]([C@@H]1CCCCN1)c2ccccc2	ZINC000000001267	C2CCC(Cc1ccccc1)NC2
C[C@@H]2CC(=O)c1cc(Cl)ccc1O2	ZINC000000040011	O=C1CCOc2ccccc12
O=C(NCc1ccc(N(=O)=O)cc1)c3nc2ccccc2[nH]3	ZINC000000035327	O=C(NCc1ccccc1)c3nc2ccccc2[nH]3
C[N@@](Cc2ccc1OCOc1c2)C3CCCCC3	ZINC000000044124	C3CCC(NCc2ccc1OCOc1c2)CC3
COc2ccc(OC)c(C[N@@](C)C1CCN(C)CC1)c2	ZINC000000199823	C2CC(NCc1ccccc1)CCN2
C[C@@]12CCCCC1[N+](=O)CN2O	ZINC000000370675	O=[N+]2CNC1CCCCC12
COc2ccc1n(=O)onc1c2	ZINC000000087673	O=n1onc2ccccc12
CC1(C)OC(=O)C[C@@H]1C(O)=O	ZINC000000155692	O=C1CCCO1
CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1	ZINC000000000294	c1ccccc1
CCC(=O)O[C@@]2(c1ccccc1)CC[N@@](C)C[C@@H]2CC=C	ZINC000000000021	C2CC(c1ccccc1)CCN2
CN3C(=O)C[C@H](N2CCN(C(=O)CN1CCCC1)CC2)C3=O	ZINC000000036436	O=C3CC(N2CCN(C(=O)CN1CCCC1)CC2)C(=O)N3
COC(=O)C2C(c1ccc(C)cc1)C(C(=O)OC)C(=C)NC2=C	ZINC000000229038	C=C2CC(c1ccccc1)CC(=C)N2
Cc2nnc3[nH]c(c1cc(N(=O)=O)c(Cl)cc1Cl)nn23	ZINC000000036434	c3ccc(c2nn1cnnc1[nH]2)cc3
Clc3ccc2nc1ccccc1c(=O)n2n3	ZINC000000036433	O=c2c1ccccc1nc3cccnn23
Cc2ccc(C)c(OCC(=O)Nc1cccc(Cl)c1C)c2	ZINC000000038549	O=C(COc1ccccc1)Nc2ccccc2
CCN(CC)CC(=O)n2c1ccccc1sc3ccc(Cl)cc23	ZINC000000076010	c3ccc2sc1ccccc1[nH]c2c3
NS(=O)(=O)c2ccc(NC(=O)c1cc(Cl)ccc1Cl)cc2	ZINC000000030301	O=C(Nc1ccccc1)c2ccccc2
O=S(=O)(N(C1CCNCC1)C2CC2)c3ccccc3	ZINC000000154345	O=S(=O)(N(C1CCNCC1)C2CC2)c3ccccc3
CCc3ccc(NC2=N[C@@H](C(=O)NC1CCCCC1)C=C(O)N2)cc3	ZINC000000529271	O=C(NC1CCCCC1)C3C=CNC(Nc2ccccc2)=N3
CN(C)c2cc(C)nc(N1CCOCC1)n2	ZINC000000378404	C2CN(c1ncccn1)CCO2
O[C@H]2[C@@H]1C[C@H]3C[C@@H](C1)C(=O)[C@@H]2C3	ZINC000000173570	O=C2C1CC3CC(C1)CC2C3
COc3ccc(Cc1nccc2cc(OC)c(OC)cc12)cc3OC	ZINC000000056555	C(c1ccccc1)c2nccc3ccccc23
C3CN(C2CCN(Cc1ccco1)CC2)CCO3	ZINC000000550819	C3CN(C2CCN(Cc1ccco1)CC2)CCO3
C[n+]1ccccc1COc2cccc(C=O)c2	ZINC000000337658	C(Oc1ccccc1)c2ccccn2
CCOc3c(CNc2nc1ccc(Cl)cc1s2)cccc3OC	ZINC000000360436	C(Nc2nc1ccccc1s2)c3ccccc3
CS(=O)(=O)N3CCN(c1ccccc1NC(=O)c2ccco2)CC3	ZINC000000360430	O=C(Nc1ccccc1N2CCNCC2)c3ccco3
CCCN(CCC)CC(=O)Nc1cccc2OCOc12	ZINC000000296925	C2Oc1ccccc1O2
CCN(Cc1ccncc1)C(=O)c2cccs2	ZINC000000029372	O=C(NCc1ccncc1)c2cccs2
COC(=O)COc3cc2occ(c1csc(C)n1)c(=O)c2cc3C	ZINC000000190551	O=c2c(c1cscn1)coc3ccccc23
NC(=N)SCc1cccc(Cl)c1	ZINC000000096804	c1ccccc1
CC[C@@H](C)NC(=O)c2cc(=O)n(Cc1cccc(C)c1)c3ccccc23	ZINC000000217631	O=c2ccc1ccccc1n2Cc3ccccc3
CN2CCC(NCc1ccco1)CC2	ZINC000000268581	C2CC(NCc1ccco1)CCN2
C3Cc2[nH]nc(Nc1ccccc1)c2C3	ZINC000000040665	C3Cc2[nH]nc(Nc1ccccc1)c2C3
CN2C(C)(C)CC(NC(=O)c1ccccn1)CC2(C)C	ZINC000000269207	O=C(NC1CCNCC1)c2ccccn2
Cc1ccc(F)cc1NC(N)=S	ZINC000000102569	c1ccccc1
CCc1[nH]c(=O)nc(N)c1c2ccccc2	ZINC000000040668	O=c2ncc(c1ccccc1)c[nH]2
Cc1sc(N)c(C#N)c1c2ccccc2	ZINC000000034150	c2ccc(c1ccsc1)cc2
CCn1nccc1CNC	ZINC000000034156	c1cn[nH]c1
CCn1ccc(CNC)n1	ZINC000000034155	c1cn[nH]c1
O=n1ccccc1C[n+]2ccccc2	ZINC000000331557	O=n1ccccc1C[n+]2ccccc2
Nc2ccc[n+](c1ccc(F)cc1)c2	ZINC000000331559	c2ccc([n+]1ccccc1)cc2
c1cnc3c(c1)nc2ccc[nH]c23	ZINC000000331558	c1cnc3c(c1)nc2ccc[nH]c23
CCOc2ccc(C(=O)Nc1sc(C)c(C)c1C(N)=O)cc2	ZINC000000035687	O=C(Nc1cccs1)c2ccccc2
COc2ccc(C(=O)n1ncn(C)c1=S)cc2	ZINC000000032653	O=C(c1ccccc1)n2nc[nH]c2=S
Cc1cc(C=O)c(C)n1c2ccccc2	ZINC000000040934	c2ccc(n1cccc1)cc2
Cc3ccc(C(=O)COc2ccc(NC(=O)c1ccccc1)cc2)cc3	ZINC000000107882	O=C(COc2ccc(NC(=O)c1ccccc1)cc2)c3ccccc3
CC(=O)Nc3cccc(c2cc(=O)c1ccccc1o2)c3O	ZINC000000034370	O=c2cc(c1ccccc1)oc3ccccc23
CC3=C[C@@](O)(c1ccccc1)C(=[N+]2CCOCC2)N3O	ZINC000000328086	C3C[N+](=C1NC=CC1c2ccccc2)CCO3
O=C2CC(c1ccccc1)CC(=O)C2	ZINC000000142579	O=C2CC(c1ccccc1)CC(=O)C2
CC(C)(C)NC(=O)CSc1ncccn1	ZINC000000084523	c1cncnc1
COc2cc(Cc1cnc(N)nc1N)cc3C(C)=C(F)[C@](C)(CF)Nc23	ZINC000000603382	C3Nc2ccc(Cc1cncnc1)cc2C=C3
CCOc1ccc(C(=O)N(CC=C)CC=C)cc1	ZINC000000029958	c1ccccc1
Cc1nccn1CCCN2C(=O)CNC2=S	ZINC000000481630	O=C1CNC(=S)N1CCCn2ccnc2
CC[N@]2CCC[C@H](N1C(=O)OC(C)(C)[C@@]1(C)O)C2	ZINC000000086219	O=C1OCCN1C2CCCNC2
Cc2ccc(C(=O)Nc1ccccn1)cc2C	ZINC000000029951	O=C(Nc1ccccn1)c2ccccc2
COC(=O)c3ccc(NC(=O)c2cc1ccccc1oc2=O)cc3	ZINC000000044169	O=C(Nc1ccccc1)c3cc2ccccc2oc3=O
COc3ccc(c2nc(c1ccc(Br)cc1)cs2)cc3	ZINC000000172045	c3ccc(c2csc(c1ccccc1)n2)cc3
COc2ccc(C(=O)NC1CC(C)(C)NC(C)(C)C1)cc2	ZINC000000195334	O=C(NC1CCNCC1)c2ccccc2
OC4(c1ccc(Cl)cc1)CCN(Cn2nnc3ccccc23)CC4	ZINC000000118451	C3CN(Cn1nnc2ccccc12)CCC3c4ccccc4
N[C@@H](C1CCC(O)CC1)C(O)=O	ZINC000000001869	C1CCCCC1
C[C@]12CCC(=O)NC1=CC(=O)CC2	ZINC000000142570	O=C2CCC1CCC(=O)C=C1N2
CC1(C)CC(O)(C#C)CC(C)(C)N1	ZINC000000062927	C1CCNCC1
O=N(=O)c3cccc([C@@H]1NCCc2nc[nH]c12)c3	ZINC000000197248	C3Cc1nc[nH]c1C(c2ccccc2)N3
O=C(NCc1cccnc1)[C@@H]2CC2(c3ccccc3)c4ccccc4	ZINC000000049201	O=C(NCc1cccnc1)C2CC2(c3ccccc3)c4ccccc4
CNC(=S)Nc1ccccc1	ZINC000000075391	c1ccccc1
COc4ccc([C@@H]1SCC(=O)N1c3nc2ccccc2s3)cc4	ZINC000000032432	O=C2CSC(c1ccccc1)N2c4nc3ccccc3s4
C[C@@H](NC(=S)Nc1ccc(Br)cn1)c2ccccc2	ZINC000000008820	S=C(NCc1ccccc1)Nc2ccccn2
COC(CN[C@@H]1CCCc2c1[nH]c3ccc(C)cc23)OC	ZINC000000200163	C1CCc2c(C1)[nH]c3ccccc23
CCNc1nc(F)cc(F)n1	ZINC000000039511	c1cncnc1
COC(=O)c1cc(OC)c(OC)cc1N	ZINC000000057545	c1ccccc1
CCN(CC)C(=O)[C@@H]3CCC[N@@](Cc2ccc1OCOc1c2)C3	ZINC000000240454	C3CCN(Cc2ccc1OCOc1c2)CC3
O=C([C@@H]1CCCCN1)N3CCN(Cc2cccnc2)CC3	ZINC000000131107	O=C(C1CCCCN1)N3CCN(Cc2cccnc2)CC3
C[N@](c1cccc(F)c1C#N)n2c(C)ccc2C	ZINC000000140604	N(c1ccccc1)n2cccc2
CCOC(=O)Nn1c(=O)c3cccc2cccc(c1=O)c23	ZINC000000071091	O=c1[nH]c(=O)c3cccc2cccc1c23
O=C2C[C@H](N1CCSCC1)C(=O)N2CCc3ccccc3	ZINC000000033217	O=C2CC(N1CCSCC1)C(=O)N2CCc3ccccc3
Cc1ccc(NC(N)=S)c(C)c1	ZINC000000156315	c1ccccc1
COC(=O)c1sc(C(=O)OC)c(Cl)c1Cl	ZINC000000033748	c1ccsc1
Cc2ccc(CCSc1ccc(Cl)c(Cl)c1)cn2	ZINC000000033218	C(Cc1cccnc1)Sc2ccccc2
CC(C)CCNC(=O)C2CCN(Cc1cccnc1)CC2	ZINC000000299295	C2CCN(Cc1cccnc1)CC2
NC(=S)Nc1ccc(C#N)cc1	ZINC000000156319	c1ccccc1
O[C@@H]3CCC[N@](C2CCN(Cc1ccccc1)CC2)C3	ZINC000000279803	C3CCN(C2CCN(Cc1ccccc1)CC2)CC3
CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000073524	c1ccccc1
CC2=C(N(=O)=O)[C@@H](c1ccccc1)NC(=O)N2	ZINC000000078719	O=C2NC=CC(c1ccccc1)N2
CC2(C)CC(N1CN=C(N)N(C#N)C1)CC(C)(C)N2	ZINC000000027629	C2CC(N1CNC=NC1)CCN2
CC(=O)c1cc(O)c(O)c(N(=O)=O)c1	ZINC000000002778	c1ccccc1
CCn1ccsc1=N	ZINC000000039476	N=c1[nH]ccs1
CC(=O)N2CCN(CC(\C)=C/c1ccccc1)CC2	ZINC000000219534	C2CN(CC=Cc1ccccc1)CCN2
NCC[C@H]1CCCCC(=O)N1	ZINC000000200576	O=C1CCCCCN1
C[n+]2cc(C(=O)NCC[N+](C)(C)Cc1ccccc1)ccc2\C=N\O	ZINC000000174443	O=C(NCCNCc1ccccc1)c2cccnc2
Cc2ccc1NC(=O)CSc1c2	ZINC000000058275	O=C2CSc1ccccc1N2
Cc3cc(=O)oc4cc(OCCN2CCN(c1ccc(Cl)c(Cl)c1)CC2)ccc34	ZINC000000628464	O=c4ccc3ccc(OCCN2CCN(c1ccccc1)CC2)cc3o4
O=C(Cc1ccccc1)N2CCCc3ccccc23	ZINC000000029572	O=C(Cc1ccccc1)N2CCCc3ccccc23
Oc1ccccc1n2cccc2	ZINC000000105122	c2ccc(n1cccc1)cc2
C[C@@H]2CCC[N@@](CCC(=O)Nc1ccccc1)C2	ZINC000000176341	O=C(CCN1CCCCC1)Nc2ccccc2
ON2C1=NCCN1S(=O)(=O)c3ccccc23	ZINC000000019372	O=S3(=O)N1CCN=C1Nc2ccccc23
CN(C)Cc1cc(F)ccc1Sc2ccc(C(F)(F)F)cc2N	ZINC000000332424	S(c1ccccc1)c2ccccc2
CN(C)C(=O)[n+]1ccc(N(C)C)cc1	ZINC000000259942	c1ccncc1
O=C(NCCN1CCCCC1)c2ccc(=O)oc2	ZINC000000527156	O=C(NCCN1CCCCC1)c2ccc(=O)oc2
CCS(=O)(=O)c1ccc(O)c(N)c1	ZINC000000056706	c1ccccc1
NCCc3c[nH]c4ccc(OCC(=O)N2CCN(c1ccc(C#N)cc1)CC2)cc34	ZINC000000579168	O=C(COc2ccc1[nH]ccc1c2)N4CCN(c3ccccc3)CC4
CCOC(N)=c1ccc(=O)cc1	ZINC000000056700	C=c1ccc(=O)cc1
OC(=O)c2ccc1cccc(O)c1n2	ZINC000000066137	c2ccc1ncccc1c2
Nc3nncc(C12CCN(CC1)C2)n3	ZINC000000005200	C2CC3(c1cnncn1)CCN2C3
CN(C)c1cc(C)nc(N)c1	ZINC000000005205	c1ccncc1
C2CSC(c1ccccc1)=CCN2	ZINC000000008444	C2CSC(c1ccccc1)=CCN2
CN[C@@H](C)Cc1ccc(O)cc1	ZINC000000000615	c1ccccc1
C[C@H](Cc1ccccc1)NC(=O)Cc2ccc(N)cc2	ZINC000000000614	O=C(Cc1ccccc1)NCCc2ccccc2
CCCc4cc(N1CCN(CC)CC1)n3c(nc2ccccc23)c4C#N	ZINC000000352599	C4CN(c2cccc3nc1ccccc1n23)CCN4
O=N(=O)c4ccc3oc(=O)c(c2nc1ccccc1o2)cc3c4	ZINC000000034973	O=c2oc1ccccc1cc2c4nc3ccccc3o4
COC12CCC(CC1)C(=O)C2	ZINC000000158400	O=C1CC2CCC1CC2
CN2CCN(C(=O)NCCC1CCCCC1)CC2	ZINC000000352593	O=C(NCCC1CCCCC1)N2CCNCC2
CC3=C2CCc1ccccc1N2CCC3=O	ZINC000000022619	O=C1CCN2C(=C1)CCc3ccccc23
Cn2c(/N=C/c1ccccc1O)nc3ccccc23	ZINC000000041817	C(=Nc2nc1ccccc1[nH]2)c3ccccc3
CC(=O)O[C@@]3(c1ccccn1)COc2ccccc2O3	ZINC000000041813	C2Oc1ccccc1OC2c3ccccn3
Cn2nnc(C1=CCCNC1)n2	ZINC000000004001	C2CC=C(c1nn[nH]n1)CN2
COc4ccc(n3c(=O)c1ccccc1c2ccccc2c3=O)cc4	ZINC000000055053	O=c3n(c1ccccc1)c(=O)c2ccccc2c4ccccc34
CCN(CC)CCN3[C@@H](c1ccc(F)cc1)Nc2ccccc2C3=O	ZINC000000484245	O=C2NC(c1ccccc1)Nc3ccccc23
COc3ccc(n2c(=O)c(Cl)c(Nc1cccc(O)c1)c2=O)cc3	ZINC000000107279	O=c2cc(Nc1ccccc1)c(=O)n2c3ccccc3
CCOC(=O)[C@@H]1CCC[N@@](C)C1	ZINC000000155206	C1CCNCC1
CC[C@@H]1CCC[N@]1CNC(=O)c2cc(OC)c(OC)c(OC)c2	ZINC000000192219	O=C(NCN1CCCC1)c2ccccc2
Clc3ccc(n2c(=O)c1nccnc1c2=O)cc3Cl	ZINC000000040496	O=c2n(c1ccccc1)c(=O)c3nccnc23
O=C(NC1CCCC1)c4ccc(COc3ccc2ccccc2c3)o4	ZINC000000115621	O=C(NC1CCCC1)c4ccc(COc3ccc2ccccc2c3)o4
CS(=O)(=O)c1ccc(N)cc1	ZINC000000153753	c1ccccc1
Cc4nc3n(CCN1CCCCC1)c2ccccc2n3n4	ZINC000000266093	C4CCN(CCn2c1ccccc1n3ncnc23)CC4
Oc3ccc(c2cncc(c1ccc(O)cc1)c2)cc3	ZINC000000006514	c3ccc(c2cncc(c1ccccc1)c2)cc3
CNCc1ccncc1	ZINC000000161991	c1ccncc1
CCOC(=O)c2ccc(N1CCN(C)CC1)nc2	ZINC000000012604	C2CN(c1ccccn1)CCN2
Cc2ccc(c1cc[nH]n1)cn2	ZINC000000142281	c2cncc(c1cc[nH]n1)c2
O[C@@H]2CCC[N@@](Cc1cccc(F)c1)C2	ZINC000000239375	C2CCN(Cc1ccccc1)CC2
CCc3cc2c(SCC(=O)c1ccc(Cl)cc1)ncnc2s3	ZINC000000072469	O=C(CSc1ncnc2sccc12)c3ccccc3
CC(C)(C)N(CCO)CCO	ZINC000000396185	nonring
ClC1(Cl)C[C@@H]1CSC2=NCCN2	ZINC000000141771	C2CN=C(SCC1CC1)N2
CO[n+]2ccc(c1ccccc1)cc2	ZINC000000396183	c2ccc(c1ccncc1)cc2
Oc1c(F)cc(F)cc1F	ZINC000000389659	c1ccccc1
CCCN3C(=O)[C@@H](Cc2nc1ccccc1c(=O)n2C)c4ccccc34	ZINC000000103089	O=C2Nc1ccccc1C2Cc4nc3ccccc3c(=O)[nH]4
FC(F)(F)c1ccc(C=O)cn1	ZINC000000154405	c1ccncc1
CN(C)C[C@@H](O)c1ccccc1I	ZINC000000339089	c1ccccc1
OCc1cccc2ncccc12	ZINC000000340837	c2ccc1ncccc1c2
NC(=O)NC1(C#C)CCCCC1	ZINC000000137628	C1CCCCC1
C[n+]1cc(C#N)cc2ccccc12	ZINC000000405071	c2ccc1ncccc1c2
CC3(C)Cc1ccccc1C(N2CCOCC2)=N3	ZINC000000051827	C3CN(C1=NCCc2ccccc12)CCO3
Clc2ccc(CNC(=O)CSc1ccc(Cl)cc1)cc2	ZINC000000051824	O=C(CSc1ccccc1)NCc2ccccc2
CC(=C)Cc3c(C)c(C#N)c2nc1ccccc1n2c3n4ccnc4C	ZINC000000544647	c1ccc4c(c1)nc3cccc(n2ccnc2)n34
Brc2ccc1[nH]ccc1c2	ZINC000000081120	c2ccc1[nH]ccc1c2
Oc1ccc(F)c(F)c1	ZINC000000164811	c1ccccc1
CC(=NNC(=O)COc1ccccc1N(=O)=O)c2ccc(O)cc2	ZINC000000064421	O=C(COc1ccccc1)NN=Cc2ccccc2
O=c2[nH]c1ccccc1c2=NN4C(c3ccncc3)N=NC4=S	ZINC000000047777	O=c2[nH]c1ccccc1c2=NN4C(c3ccncc3)N=NC4=S
Oc2ccc1sc(=O)oc1c2	ZINC000000002181	O=c2oc1ccccc1s2
Nc2nc1ccccc1n2CCN3CCCC3	ZINC000000186853	C3CCN(CCn1cnc2ccccc12)C3
CC(=O)N1CCN(C(N)=N)CC1	ZINC000002599496	C1CNCCN1
COC(=O)c1sccc1NS(=O)(=O)c2ccc(F)cc2F	ZINC000000080655	O=S(=O)(Nc1ccsc1)c2ccccc2
COc2c(O)c(/C=C/C(=O)N1CCCCC1)c(OC)c3ccoc23	ZINC000000058307	O=C(C=Cc2ccc1occc1c2)N3CCCCC3
Cc3ccc(O)c(n2nc1ccccc1n2)c3	ZINC000000001336	c3ccc(n2nc1ccccc1n2)cc3
C[N@]1[C@H]3CC[C@@H]1CC(NCc2ccccc2)C3	ZINC000000198761	C2CC3CC(NCc1ccccc1)CC2N3
CC[C@]2(C)C[C@]1(CCC[N@@](CCO)C1)CCO2	ZINC000000198762	C1CNCC2(C1)CCOCC2
CCC[N@@](CCO)Cc1ccc(Br)s1	ZINC000000217981	c1ccsc1
FC(F)(F)c2ccc(S(=O)(=O)Cc1ccc(N(=O)=O)cc1)nc2	ZINC000000123017	O=S(=O)(Cc1ccccc1)c2ccccn2
Cc2cc(N1CCCCC1)nc(N)n2	ZINC000000194216	C2CCN(c1ccncn1)CC2
FC(F)(F)c2nc1ccccc1[nH]2	ZINC000000073738	c2ccc1[nH]cnc1c2
C(c1ccccn1)[n+]2ccccc2	ZINC000000337464	C(c1ccccn1)[n+]2ccccc2
COc1ccccc1C[N@]2CCC[C@@H](CO)C2	ZINC000000272112	C2CCN(Cc1ccccc1)CC2
N#CC[n+]2ccc1ccccc1c2	ZINC000000337469	c2ccc1cnccc1c2
COc4ccc(OC)c(C1=NCC(=O)Nc2c1oc3ccccc23)c4	ZINC000000054953	O=C4CN=C(c1ccccc1)c3oc2ccccc2c3N4
FC(F)(F)c2nnc3ccc(NCc1ccccc1)nn23	ZINC000000053678	C(Nc2ccc1nncn1n2)c3ccccc3
Clc1cccc3c1c(=O)cc2ccccn23	ZINC000000017725	O=c2cc1ccccn1c3ccccc23
COc1ccccc1[C@@H](CCN)c2ccco2	ZINC000000141560	C(c1ccccc1)c2ccco2
Cc1ccc(NN=C(N)N)cc1	ZINC000000010510	c1ccccc1
Nc1cc(F)ccc1n2ccnc2	ZINC000000128598	c2ccc(n1ccnc1)cc2
CN(C)c3ccc(\C=N\C2=NN(c1ccccc1)CC2)cc3	ZINC000000193971	C2CC(N=Cc1ccccc1)=NN2c3ccccc3
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000057287	c1ccccc1
CN4CCC(c3cc(c1ccncc1)c(c2ccc(F)cc2)[nH]3)CC4	ZINC000000009158	C4CC(c3cc(c1ccncc1)c(c2ccccc2)[nH]3)CCN4
Nc1ccccc1Nc3nc2ccccc2[nH]3	ZINC000000033917	N(c1ccccc1)c3nc2ccccc2[nH]3
CCOC(=O)[C@H]2CCC[N@@](Cc1ccc(N(=O)=O)o1)C2	ZINC000000292224	C2CCN(Cc1ccco1)CC2
COc3ccc(N2N=C(C(=O)c1ccc(C)cc1)C(O)(O)C2=O)cc3	ZINC000000084956	O=C2CC(C(=O)c1ccccc1)=NN2c3ccccc3
CC[C@H]2OC(c1ccc(N(=O)=O)cc1)=Nc3ccccc23	ZINC000000032796	C2OC(c1ccccc1)=Nc3ccccc23
C[N@]2CCC[C@@H](OC(=O)c1ccco1)C2	ZINC000000187980	O=C(OC1CCCNC1)c2ccco2
OCCn2ncc1ccccc1c2=O	ZINC000000069777	O=c1[nH]ncc2ccccc12
COc2ccc(OC)c(CN1CCC(C(=O)NCCC(C)C)CC1)c2	ZINC000000299599	C2CCN(Cc1ccccc1)CC2
Cn1cc(CN)cn1	ZINC000000032356	c1cn[nH]c1
CC(C)=CCNc1ncnc2[nH]cnc12	ZINC000000032351	c2ncc1nc[nH]c1n2
CC(=O)CC(C)(C)S(=O)(=O)c1ccc(Br)cc1	ZINC000000050396	c1ccccc1
C[N@]2CCC[C@@H](OC(=O)COc1ccccc1)C2	ZINC000000552059	O=C(COc1ccccc1)OC2CCCNC2
COc1ccccc1[n+]3c2CCCCCn2cc3c4ccc(Br)cc4	ZINC000000622767	C1CCc3n(CC1)cc(c2ccccc2)[n+]3c4ccccc4
Cc2ccc1[nH]c(=O)c(=NNC(N)=N)c1c2	ZINC000000189060	N=c1c(=O)[nH]c2ccccc12
CN(C)CCCc1ccncc1	ZINC000000161464	c1ccncc1
C[C@H]1C[N@@](C)CC[C@]1(O)c2ccccc2	ZINC000000236345	C2CC(c1ccccc1)CCN2
Fc3cccc4c(N2CCc1ccccc1C2)ccnc34	ZINC000000026876	C2Cc1ccccc1CN2c3ccnc4ccccc34
CN(C)CCOC(c1ccccc1)c2ccccc2	ZINC000000020244	C(c1ccccc1)c2ccccc2
COc4ccc(c3cc(c1ccncc1)c(c2ccccc2)[nH]3)cc4	ZINC000000022119	c4ccc(c3cc(c1ccncc1)c(c2ccccc2)[nH]3)cc4
FC(F)(F)c2ccc(SCc1cc(=O)[nH]c(=O)[nH]1)c(N(=O)=O)c2	ZINC000000480155	O=c2cc(CSc1ccccc1)[nH]c(=O)[nH]2
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc2ccc(C(F)(F)F)cc2	ZINC000000593144	O(c1ccccc1)c2ccccc2
Oc2ccc1ccc(=O)oc1c2O	ZINC000000057753	O=c2ccc1ccccc1o2
C[n+]1ccc(C(=O)NO)cc1	ZINC000000321315	c1ccncc1
Cc3cc(C)c2cc(C(=O)NCCN1CCCCC1)[nH]c2c3	ZINC000000171571	O=C(NCCN1CCCCC1)c3cc2ccccc2[nH]3
CC[C@@H](C)C(=O)N2CCN(c1ccccc1)CC2	ZINC000000030417	C2CN(c1ccccc1)CCN2
CC(c1ccc(O)cc1)c2ccc(O)cc2	ZINC000000057029	C(c1ccccc1)c2ccccc2
C[N+]4([C@@H]1CC[C@H]2CCC[C@@H]1C23OCCO3)CCOCC4	ZINC000000402409	C2CC3CCC(N1CCOCC1)C(C2)C34OCCO4
O=C(O/N=C(/c1ccccc1)c2ccncc2)c3ccc(N(=O)=O)cc3	ZINC000000208793	O=C(ON=C(c1ccccc1)c2ccncc2)c3ccccc3
COc2cccc([C@@]1(O)C=C(C(F)(F)F)NN1C(C)=O)c2	ZINC000000049012	N2NC(c1ccccc1)C=C2
FC(F)(F)c4cccc(N3CCN(CCc2ccc1[nH]c(=O)sc1c2)CC3)c4	ZINC000000604739	O=c4[nH]c3ccc(CCN2CCN(c1ccccc1)CC2)cc3s4
COc2ccc(\C=N\NC(=S)N/N=C/c1ccc(OC)cc1)cc2	ZINC000000104359	S=C(NN=Cc1ccccc1)NN=Cc2ccccc2
CC[C@@H](C)[C@@H](N)C(=O)N2CCN(C(=O)C1CCCCC1)CC2	ZINC000000252615	O=C(C1CCCCC1)N2CCNCC2
CCN(CC)CCNc1[nH]c(=O)nnc1C	ZINC000000138524	O=c1nncc[nH]1
Cc5cncc(CN4CCC(=C2c1ccc(Cl)cc1CCc3cccnc23)CC4)c5	ZINC000000598829	C4CC(=C2c1ccccc1CCc3cccnc23)CCN4Cc5cccnc5
O=C(Nc2ccc(c1nn[nH]n1)cc2)c3ccc(C#N)cc3	ZINC000000012858	O=C(Nc2ccc(c1nn[nH]n1)cc2)c3ccccc3
CC(C)(C)c1ccc(NN)cc1	ZINC000000153200	c1ccccc1
OCC[N@]3CCCN(c2nc1ccccc1o2)CC3	ZINC000000019143	C3CNCCN(c2nc1ccccc1o2)C3
Cc3ccc(NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N2CCCCC2)cc3	ZINC000000054228	O=C(Nc1ccccc1)C2CC=CCC2C(=O)N3CCCCC3
COC(=O)c2cc1ccccc1[nH]2	ZINC000000036638	c2ccc1[nH]ccc1c2
O=S2(=O)Nc1ccccc1N2	ZINC000000009186	O=S2(=O)Nc1ccccc1N2
O[C@@](C1=NCCN1)(c2ccc(Cl)cc2)c3ccccn3	ZINC000000000201	C3CN=C(C(c1ccccc1)c2ccccn2)N3
CC(C)(N)Cc1ccccc1Cl	ZINC000000001204	c1ccccc1
CCc2nc1ccccc1c(=O)n2c3c(Cl)cccc3Cl	ZINC000000001203	O=c2n(c1ccccc1)cnc3ccccc23
C4CC(c3cc(c2ccc1OCOc1c2)n[nH]3)CCN4	ZINC000000208427	C4CC(c3cc(c2ccc1OCOc1c2)n[nH]3)CCN4
CN1CC2C[N@@](C)CC(C1)C(=O)N2	ZINC000004656480	O=C1NC2CNCC1CNC2
Cc1ccc(NS(C)(=O)=O)cc1Cl	ZINC000000029499	c1ccccc1
CSc1nnc([C@@H](N)C(C)C)o1	ZINC000000533005	c1nnco1
CS(=O)(=O)Nc1ccccc1F	ZINC000000029491	c1ccccc1
Fc2c(F)c(Oc1ccccc1)c(F)c(F)c2Oc3ccccc3	ZINC000000044146	O(c1ccccc1)c3ccc(Oc2ccccc2)cc3
CC(C)CNC(=O)c1ccccc1F	ZINC000000029728	c1ccccc1
CN3CCC(N2CCN(c1ccc(Cl)cc1)CC2)CC3	ZINC000000279568	C3CC(N2CCN(c1ccccc1)CC2)CCN3
NC(=O)c1sccc1Cl	ZINC000000082222	c1ccsc1
COC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)cc1C	ZINC000000184375	c1cn[nH]c1
O=c4c2nc1CCCn1c2c(=O)c5n3CCCc3nc45	ZINC000000008634	O=c4c2nc1CCCn1c2c(=O)c5n3CCCc3nc45
CCc2c(c1ccc(O)cc1)c4ccc3cccc2n34	ZINC000000008637	c4ccc(c1cc3cccc2ccc1n23)cc4
COc2ccc(CNC1CCN(C(C)=O)CC1)cc2	ZINC000000214630	C2CC(NCc1ccccc1)CCN2
Oc2cc(Cc1ccccc1)cnc2CN3CCCCC3	ZINC000000186208	C3CCN(Cc2ccc(Cc1ccccc1)cn2)CC3
Cc1ccc(NC(N)=O)cc1Cl	ZINC000000160905	c1ccccc1
Cc2nnc(C)c3c(C)n(c1ccc(N)cc1)c(C)c23	ZINC000000036452	c3ccc(n2cc1cnncc1c2)cc3
Fc1cccc(Cl)c1c2nnc3ccc(Cl)nn23	ZINC000000036453	c3ccc(c1nnc2cccnn12)cc3
COc2ccc(CNS(=O)(=O)c1cc(Cl)ccc1Cl)cc2	ZINC000000101812	O=S(=O)(NCc1ccccc1)c2ccccc2
C[C@@H](Oc1ccccc1)C(=O)Nc2ccncc2	ZINC000000030671	O=C(COc1ccccc1)Nc2ccncc2
OC2CCN(Cc1cccs1)CC2	ZINC000000239359	C2CCN(Cc1cccs1)CC2
CC(C)(C)CC(=O)Nc1cccc(F)c1	ZINC000000030582	c1ccccc1
S=C(NCc1ccco1)NC2CC2	ZINC000000089123	S=C(NCc1ccco1)NC2CC2
CN3CCN(C(=O)Nc1cccc2ccccc12)CC3	ZINC000000124869	O=C(Nc1cccc2ccccc12)N3CCNCC3
NC(=O)c1ccnc(Cl)c1	ZINC000000154099	c1ccncc1
COc2cc(\C=N\NC(=S)Nc1ccccc1)cc(OC)c2OC	ZINC000000234589	S=C(NN=Cc1ccccc1)Nc2ccccc2
CN(C)c2ccc(\C=N\NC(=S)Nc1cccc(C)c1)cc2	ZINC000000027893	S=C(NN=Cc1ccccc1)Nc2ccccc2
C5CCN(CCOc4ccc(c3cnc2n(c1ccccc1)cnc2c3)cc4)CC5	ZINC000000587938	C5CCN(CCOc4ccc(c3cnc2n(c1ccccc1)cnc2c3)cc4)CC5
CN2C(=O)N[C@H](c1ccccc1)C2=O	ZINC000000000550	O=C2NC(c1ccccc1)C(=O)N2
O[C@H](CNC1CCC1)c2ccc(O)c(O)c2	ZINC000000000551	C2CC(NCCc1ccccc1)C2
COC(=O)c3c(N)n(c1cccc(C)c1C)c4nc2ccccc2nc34	ZINC000000090162	c4ccc(n2ccc3nc1ccccc1nc23)cc4
Cc1nn(C)c(C)c1NC(=O)c2ccccc2NS(C)(=O)=O	ZINC000000141544	O=C(Nc1cn[nH]c1)c2ccccc2
Cc2ccc(NC(=O)c1cc[nH]n1)c(C)c2	ZINC000000045765	O=C(Nc1ccccc1)c2cc[nH]n2
NC[C@@H](O)c1ccc(O)cc1	ZINC000000000558	c1ccccc1
NC(=N)[C@@H](O)c2ccc1OCOc1c2	ZINC000000000559	C2Oc1ccccc1O2
CN1CCCN=C1COC(=O)[C@](O)(C2CCCCC2)c3ccccc3	ZINC000000020260	O=C(OCC1=NCCCN1)C(C2CCCCC2)c3ccccc3
NC(=S)N=NCc1cccc(Cl)c1Cl	ZINC000000046220	c1ccccc1
N[C@@H](c1ccccc1)P(O)(=O)[C@@H](N)c2ccccc2	ZINC000000186743	O=P(Cc1ccccc1)Cc2ccccc2
Oc2ccc1[nH]c(=O)oc(=O)c1c2	ZINC000002569655	O=c2[nH]c1ccccc1c(=O)o2
CSc2nc1CCCc1cc2C#N	ZINC000000046224	C2Cc1cccnc1C2
C(=N\c2cccc3c(/N=C/c1cccs1)cccc23)/c4cccs4	ZINC000000046226	C(=Nc2cccc3c(N=Cc1cccs1)cccc23)c4cccs4
Cc3ccc2n(C)c(COc1ccc(C=O)cc1)c[n+]2c3	ZINC000000337671	C(Oc1ccccc1)c3c[n+]2ccccc2[nH]3
C[N@]1[C@H]3CC[C@@H]1CC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)C3	ZINC000000135928	O=S(=O)(NC1CC2CCC(C1)N2)c3ccccc3
O=CN1CCNCC1	ZINC000000155418	C1CNCCN1
CC(C)(O)C#CC1(O)CCCC1	ZINC000000093854	C1CCCC1
Oc2ccc(CNCc1cccs1)cc2	ZINC000000040682	C(NCc1cccs1)c2ccccc2
CCOc2ccc(CN1CCC(O)CC1)cc2	ZINC000000042939	C2CCN(Cc1ccccc1)CC2
O=C(CNC(=O)c1ccccc1)OC2CCCCC2	ZINC000000034172	O=C(CNC(=O)c1ccccc1)OC2CCCCC2
N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2	ZINC000000156948	O=C(CCc1ccccc1)OCc2ccccc2
C2CN=C(c1ccccc1)N2	ZINC000000154435	C2CN=C(c1ccccc1)N2
Cc1cc(C)c(C(N)=O)c(C)c1	ZINC000000042425	c1ccccc1
Cc2cc[n+](Cc1ccc(Br)cc1)cc2	ZINC000000084099	C(c1ccccc1)[n+]2ccccc2
CC4(C)CN(c3cc(=O)c2ccc1ccccc1c2o3)CCO4	ZINC000000003117	O=c2cc(N1CCOCC1)oc4c2ccc3ccccc34
CN(C)c1cc[n+](C#N)cc1	ZINC000000404803	c1ccncc1
Cc4cc(C)c3c(N)c(C1=NC(C)(C)Cc2ccccc12)sc3n4	ZINC000000100030	C4Cc1ccccc1C(c3cc2cccnc2s3)=N4
Cc1nn(CO)c(C)c1Sc2ccc(Cl)cc2	ZINC000000084726	S(c1ccccc1)c2cn[nH]c2
NC(=O)c1occ2ccccc12	ZINC000000225177	c2ccc1cocc1c2
CC(C)CC[N@]1CCNC(=O)[C@H]1CC(=O)N(C)CCN2CCCC2	ZINC000012002054	O=C(CC1NCCNC1=O)NCCN2CCCC2
CC(=O)O[C@@H]3CSc2n(C)c1ccccc1[n+]2C3	ZINC000000432643	C3CSc2[nH]c1ccccc1[n+]2C3
NC(=N)Cc1c(Cl)cccc1Cl	ZINC000000115197	c1ccccc1
O=C(COc1ccccc1)NCCN2CCCC2	ZINC000000383099	O=C(COc1ccccc1)NCCN2CCCC2
COc1ccccc1CNC(N)=N	ZINC000000235180	c1ccccc1
CC(C(=O)NCCN1CCCC1)(c2ccccc2)c3ccccc3	ZINC000000383097	O=C(NCCN1CCCC1)C(c2ccccc2)c3ccccc3
COc2ccc(CC(=O)O[C@@H](C)CN1CCCC1)cc2	ZINC000000383092	O=C(Cc1ccccc1)OCCN2CCCC2
CCn2c(=C\C=C1C(=O)OC(C)(C)OC1=O)/sc3ccccc23	ZINC000000028044	O=C1OCOC(=O)C1=CC=c3[nH]c2ccccc2s3
Cc2nn1c(N)c(C#N)cnc1c2c3ccccc3	ZINC000000035214	c3ccc(c1cnn2cccnc12)cc3
CCN2CCN(C(=S)Nc1cccc(F)c1)CC2	ZINC000000316006	S=C(Nc1ccccc1)N2CCNCC2
Oc2cn(=O)c1ccccc1n2=O	ZINC000001584818	O=n1ccn(=O)c2ccccc12
CNS(=O)(=O)c1cccnc1N2CCN(C(C)C)CC2	ZINC000000481382	C2CN(c1ccccn1)CCN2
CCOC(=O)C2CCN(Cc1cccnc1)CC2	ZINC000000161618	C2CCN(Cc1cccnc1)CC2
Cn3c(NC2CCN(Cc1ccccc1)CC2)cc(=O)n(C)c3=O	ZINC000000070252	O=c3cc(NC2CCN(Cc1ccccc1)CC2)[nH]c(=O)[nH]3
COc2cc(OC)cc(C(=O)Nc1ccc(F)c(F)c1)c2	ZINC000000029933	O=C(Nc1ccccc1)c2ccccc2
CCCN(CCC)C(=O)c1cc(OC)cc(OC)c1	ZINC000000029930	c1ccccc1
Cc1ccc(Cl)nc1	ZINC000000152326	c1ccncc1
COc2ccc(CNC[C@@H]1CCCO1)c(OC)c2OC	ZINC000000268574	C2COC(CNCc1ccccc1)C2
O=C2CN(C(=O)[C@@H]1CCCN1)CCN2	ZINC000019413071	O=C2CN(C(=O)C1CCCN1)CCN2
NCc1c[nH]c2ccccc12	ZINC000000152322	c2ccc1[nH]ccc1c2
C[C@@H](O)C[N+](=O)Cc1ccccc1	ZINC000000126541	c1ccccc1
C[N@]1CCCC[C@@H]1C(C)(C)OC(=O)C(c2ccccc2)c3ccccc3	ZINC000000608026	O=C(OCC1CCCCN1)C(c2ccccc2)c3ccccc3
COc1ccc(Cl)cc1NC(=O)CN2CCC(C)CC2	ZINC000000127784	O=C(CN1CCCCC1)Nc2ccccc2
Cc1cc(C=O)c(C)n1C2CC2	ZINC000000065266	C1CC1n2cccc2
NNc1cc(=O)oc2ccccc12	ZINC000000065260	O=c2ccc1ccccc1o2
CC(=N)NCc1ccccn1	ZINC000000159446	c1ccncc1
Cc2[nH]c1ccccc1c2C(=O)CSc3nnnn3c4ccccc4	ZINC000000125788	O=C(CSc1nnnn1c2ccccc2)c3c[nH]c4ccccc34
Cc4ccc(c3cc2ncc(C#N)c(c1cccc(C)c1)n2n3)cc4	ZINC000000033585	c4ccc(c3cc2nccc(c1ccccc1)n2n3)cc4
Cc2[nH]c1ccccc1c2CCNC(N)=O	ZINC000000033584	c2ccc1[nH]ccc1c2
Cc3cccc(c1c(C#N)cnc2ncnn12)c3	ZINC000000033586	c3ccc(c1ccnc2ncnn12)cc3
Cc1ccccc1Cn2cccc2\C=c4\c(=O)nc3sccn3c4=N	ZINC000000091907	N=c3c(=Cc1cccn1Cc2ccccc2)c(=O)nc4sccn34
C[N+]13CCN(CC1)c2ccccc23	ZINC000000236759	C1CN2CCN1c3ccccc23
Nc2cccc(CC(=S)N1CCOCC1)c2	ZINC000000078084	S=C(Cc1ccccc1)N2CCOCC2
C[C@@H]1CCCC[C@@H]1[N@]2CNc3c(C2)c(=O)n(C)c(=O)n3C	ZINC000000477793	O=c3[nH]c2NCN(C1CCCCC1)Cc2c(=O)[nH]3
CC3CCN(Cn2cnn(CN1CCC(C)CC1)c2=S)CC3	ZINC000000102969	S=c2n(CN1CCCCC1)cnn2CN3CCCCC3
Cc2c[n+]1ccsc1n2C	ZINC000000330668	c2c[n+]1ccsc1[nH]2
NCc3ccc(c2cc(c1ccccc1)[nH]n2)cc3	ZINC000000008800	c3ccc(c2cc(c1ccccc1)[nH]n2)cc3
O=C(N([C@@H]1CN2CCC1CC2)c3ccccn3)c4ccccc4	ZINC000000330919	O=C(N(C1CN2CCC1CC2)c3ccccn3)c4ccccc4
Cc2oc1ccccc1oc2c3ccccn3	ZINC000000041248	c3ccc(c2coc1ccccc1o2)nc3
Cc4oc3nc1CCCCc1c(NC(=O)CN2CCCC2=O)c3c4C	ZINC000000004939	O=C(CN1CCCC1=O)Nc3c2CCCCc2nc4occc34
CNc1nc(F)cc(F)n1	ZINC000000039457	c1cncnc1
O=C(CSC(=S)NNc1ccccc1)c2cccc(N(=O)=O)c2	ZINC000000093223	O=C(CSC(=S)NNc1ccccc1)c2ccccc2
Oc3cc(O)c2C(=O)C[C@H](c1ccccc1)Oc2c3	ZINC000000004935	O=C2CC(c1ccccc1)Oc3ccccc23
Cc1cc(=O)oc4c1ccc3o\c(=C/c2ccc(Cl)cc2)c(=O)c34	ZINC000000034737	O=c4ccc3ccc2oc(=Cc1ccccc1)c(=O)c2c3o4
C3CCN(Cn1nnc2ccccc12)C3	ZINC000000349517	C3CCN(Cn1nnc2ccccc12)C3
Nc2nc(N)c1ccccc1n2	ZINC000000156374	c2ccc1ncncc1c2
CN2CCC(N(C)C(=S)NCCc1ccccc1)CC2	ZINC000000109209	S=C(NCCc1ccccc1)NC2CCNCC2
Cc2cc(C)[n+]1nc(C)sc1n2	ZINC000000124253	c2cnc1scn[n+]1c2
CCOc3cc(\C=c2/cc(c1ccc(C)cc1)oc2=O)ccc3O	ZINC000000066689	O=c2oc(c1ccccc1)cc2=Cc3ccccc3
Oc1cccnc1CN2CCCC2	ZINC000000393919	C2CCN(Cc1ccccn1)C2
C[N+]3=Cc2cc1OCOc1cc2CC3	ZINC000000394632	C3Oc2cc1CCN=Cc1cc2O3
C[n+]2ccc(C(=O)c1ccccc1)cc2	ZINC000000366031	O=C(c1ccccc1)c2ccncc2
O[C@@](C#CCN1CCCC1)(c2ccccc2)c3cccnc3	ZINC000000510382	C3CCN(CC#CC(c1ccccc1)c2cccnc2)C3
c2cnc1nccc[n+]1c2	ZINC000000390799	c2cnc1nccc[n+]1c2
CN3CCC([N@@](C)C2CCN(Cc1ccccc1)CC2)CC3	ZINC000000280041	C3CC(NC2CCN(Cc1ccccc1)CC2)CCN3
C[N@]1[C@H]2CC[C@@H]1CC(O)C2	ZINC000000158421	C1CC2CCC(C1)N2
CC(=C)c3cccc(C(C)(C)NC(=O)N[C@@H]1CN2CCC1CC2)c3	ZINC000000094195	O=C(NCc1ccccc1)NC2CN3CCC2CC3
Cc3ccc(C(=O)N2CCN(S(=O)(=O)c1ccccc1)CC2)cc3	ZINC000000094626	O=C(N2CCN(S(=O)(=O)c1ccccc1)CC2)c3ccccc3
CCc1[n+](C)cc(C)n2c(C)ccc12	ZINC000000270652	c2cc1cnccn1c2
NCc1ccccc1Sc2ccccc2CO	ZINC000000056761	S(c1ccccc1)c2ccccc2
O[C@H]2c1ccccc1C[N+](=O)C23CCCCC3	ZINC000000021721	O=[N+]2Cc1ccccc1CC23CCCCC3
CN(C)CCNC(=O)c1ccccc1C	ZINC000000178491	c1ccccc1
O=C(NN1CCCCC1)C2CCNCC2	ZINC000000251559	O=C(NN1CCCCC1)C2CCNCC2
CCOC(=O)N2CCN(C[C@H]1CCC=CC1)CC2	ZINC000000278281	C2CN(CC1CCC=CC1)CCN2
Cn3c2cc1ccccc1cc2[n+]4nc5c(cc34)c7cccc6cccc5c67	ZINC000000629069	c2ccc1cc5c(cc1c2)[nH]c4cc3c7cccc6cccc(c3n[n+]45)c67
C3CCN(C[C@H]2COc1ccccc1O2)CC3	ZINC000000000631	C3CCN(CC2COc1ccccc1O2)CC3
O=c5c2c1CCCCc1sc2nc6c3ccccc3c4nncn4n56	ZINC000000102371	O=c5c2c1CCCCc1sc2nc6c3ccccc3c4nncn4n56
CN2C(=O)C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)C2=O	ZINC000000077515	O=C2CC(NCCc1ccccc1)C(=O)N2
OC1CCCCC(=O)CCCC1	ZINC000000393267	O=C1CCCCCCCCC1
O[C@@H]2CCC[N@@](CCc1ccccc1)C2	ZINC000000217849	C2CCN(CCc1ccccc1)CC2
CC[C@@H]2C(=O)O[C@H](c1ccc(Cl)cc1)C(C)(C)C2=O	ZINC000000036841	O=C2CC(c1ccccc1)OC(=O)C2
Nc1ccncc1Oc2ccccc2	ZINC000000004796	O(c1ccccc1)c2cccnc2
C[C@@]34CC[C@@H]1[C@H](CCc2cc(O)ccc12)[C@H]3C[C@@H](O)C4=O	ZINC000000001543	O=C4CCC3C2CCc1ccccc1C2CCC34
C[N@]3CCC(c1c[nH]c2ccc(NC(C)=O)cc12)=CC3	ZINC000000021585	C3CC(c1c[nH]c2ccccc12)=CCN3
Clc3cccc(Nc1ncnc2[nH]ccc12)c3	ZINC000000021853	N(c1ccccc1)c2ncnc3[nH]ccc23
Clc3ccc(N(=O)=O)c(CN2CCC(Cc1ccccc1)CC2)c3	ZINC000000207022	C2CN(Cc1ccccc1)CCC2Cc3ccccc3
CN[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000003866010	O=S1(=O)CCCC1
NNc4nc(N)nc(C23CC1CC(CC(C1)C2)C3)n4	ZINC000000163117	C1C3CC4CC1CC(c2ncncn2)(C3)C4
CN(C)CCCN2C(=O)[C@@H]1CC3=C(C[C@@H]1C2=O)C(C)(C)CCC3	ZINC000000185837	O=C3NC(=O)C2CC1=C(CCCC1)CC23
COc1ccccc1NC(=O)CSc2nc(N)cc(N)n2	ZINC000000379437	O=C(CSc1ncccn1)Nc2ccccc2
C[N@]1CCc4c(C1)sc3N[C@@H](\C=C\c2ccccc2)NC(=O)c34	ZINC000000551825	O=C3NC(C=Cc1ccccc1)Nc4sc2CNCCc2c34
Cc4ccc([C@@]2(O)CN(c1ccccc1)C3=[N+]2CCCS3)c(C)c4	ZINC000000425723	C1CSC3=[N+](C1)C(c2ccccc2)CN3c4ccccc4
CCOC(=O)[C@@H]3Cc1c([nH]c2ccccc12)[C@@H](C)N3C(C)=O	ZINC000000047092	C1Cc2c(CN1)[nH]c3ccccc23
Oc4ccc(Nc2nc1nonc1nc2Nc3ccccc3)cc4	ZINC000000051056	N(c1ccccc1)c3nc2nonc2nc3Nc4ccccc4
Cc1ccnc2ccc(C(N)=O)cc12	ZINC000000392134	c2ccc1ncccc1c2
C[N+]1(CCO)CCOCC1	ZINC000000369913	C1COCCN1
COc2cccc(CNCc1cccc(F)c1)c2OC	ZINC000000172219	C(NCc1ccccc1)c2ccccc2
O[C@@H]1CS(=O)(=O)C[C@@H]1N2CCCC2	ZINC000004226045	O=S2(=O)CCC(N1CCCC1)C2
CCC[n+]1cnn(C=C)c1	ZINC000000047329	c1nc[nH]n1
Nc2ncc(c1ccccc1)nn2	ZINC000000230584	c2ccc(c1cncnn1)cc2
CC[C@@H](C)C(=O)Nc1cc(C)cc(C)c1	ZINC000000030442	c1ccccc1
C[C@@H]2CN(C(=O)c1cc(Cl)ccc1Cl)C[C@@H](C)O2	ZINC000000030117	O=C(N1CCOCC1)c2ccccc2
CC(=O)Nc2cccc(NC(=O)c1cc(Cl)ccc1Cl)c2	ZINC000000030115	O=C(Nc1ccccc1)c2ccccc2
CS(=O)(=O)c2ccc1cc[nH]c1c2	ZINC000000154133	c2ccc1[nH]ccc1c2
C[C@@H](C1CC1)N(Cc2ccccc2)C(=O)Nc3cccc(N(=O)=O)c3	ZINC000000231989	O=C(Nc1ccccc1)N(CC2CC2)Cc3ccccc3
Nc4nn3[C@@H](c1ccccc1)C=C(c2ccccc2)N=c3[nH]4	ZINC000000051515	C3=C(c1ccccc1)N=c2[nH]cnn2C3c4ccccc4
O=C3C[C@@H](c2ccc(S(=O)(=O)NCc1ccco1)cc2)CN3	ZINC000000111078	O=C3CC(c2ccc(S(=O)(=O)NCc1ccco1)cc2)CN3
CN(C1CC(C)(C)NC(C)(C)C1)C(=O)c2ccccc2C(O)=O	ZINC000000056270	O=C(NC1CCNCC1)c2ccccc2
COC(=O)c3ccc(C[n+]1c(C)n(N)c2ccccc12)cc3	ZINC000000386963	C(c1ccccc1)[n+]2c[nH]c3ccccc23
O[C@@H]1CCSc2ccc(Cl)cc12	ZINC000000107927	C2CSc1ccccc1C2
FC(F)(F)C(=O)Nc3ccc2nn(c1ccccc1)nc2c3	ZINC000000034726	c3ccc(n2nc1ccccc1n2)cc3
CC(C)(C)c2ccc(N1C(=O)CCC1=O)cc2	ZINC000000031535	O=C1CCC(=O)N1c2ccccc2
Nc1cc(Cl)ccc1F	ZINC000000164833	c1ccccc1
CS(=O)(=O)Cc2cc[n+](Cc1ccc(F)cc1)cc2	ZINC000000398866	C(c1ccccc1)[n+]2ccccc2
CC3=C(C(=O)Nc1ccccn1)[C@@H](c2ccc(O)cc2)NC(=S)N3	ZINC000000071822	O=C(Nc1ccccn1)C2=CNC(=S)NC2c3ccccc3
CNCc1ccccc1CS(=O)(=O)c2ccccc2	ZINC000000398863	O=S(=O)(Cc1ccccc1)c2ccccc2
CCOC(=O)[C@@H]2CCC[N@@](Cc1cccc(C(F)(F)F)c1)C2	ZINC000000239168	C2CCN(Cc1ccccc1)CC2
NC(=N)c1ccco1	ZINC000000019907	c1ccoc1
CC1(C)CCC(NC(=O)[C@@H](N)CCC(O)=O)CC1	ZINC000000006138	C1CCCCC1
CC(=O)Nc2nc1ccccc1n2CCN3CCCC3	ZINC000000186870	C3CCN(CCn1cnc2ccccc12)C3
COc3ccc([C@@H](C)c2cc1OCOc1cc2O)cc3	ZINC000000042743	C3Oc2ccc(Cc1ccccc1)cc2O3
COc1cc(N)cn[n+]1c2ccccc2	ZINC000000000908	c2ccc([n+]1ccccn1)cc2
CN2CCN(C(=O)[C@@H]1CCNC1=O)CC2	ZINC000098193006	O=C1NCCC1C(=O)N2CCNCC2
CN3CCN(C(=S)c1c[nH]c2ccccc12)CC3	ZINC000000299827	S=C(N1CCNCC1)c2c[nH]c3ccccc23
Clc2cccc(CSC1=NCCN1)c2	ZINC000000136802	C2CN=C(SCc1ccccc1)N2
Cc1ccsc1C=O	ZINC000000157152	c1ccsc1
Cc2cc(C)c(OC[C@@H](O)CN1CCCCC1)c(C)c2	ZINC000000234857	C2CCN(CCCOc1ccccc1)CC2
OC(=O)c3ccc(\C=c2\c(=O)[nH]c(=O)n(C1CCCCC1)c2=O)cc3	ZINC000000053610	O=c2[nH]c(=O)c(=Cc1ccccc1)c(=O)n2C3CCCCC3
C[N@]1CC=C3[C@H](C1)[C@@H](c2ccc(C)cc2)C(C#N)(C#N)C(N)=C3C#N	ZINC000000408309	C3NCC2C(c1ccccc1)CC=CC2=C3
CCOC(=O)n2nc(N)c1CN(C(=O)OC(C)(C)C)Cc12	ZINC000000002966	C1NCc2[nH]ncc12
O=C(Nc2ccc(Cc1ccncc1)cc2)c4ccc3ccccc3n4	ZINC000000050009	O=C(Nc2ccc(Cc1ccncc1)cc2)c4ccc3ccccc3n4
CC2(C)C[C@H](O)[C@@H]([C@H](O)c1cccc(N(=O)=O)c1)C(C)(C)N2	ZINC000000205531	C2CNCC(Cc1ccccc1)C2
CCN3C(=O)C[C@]1(CN2CCC1CC2)C3=O	ZINC000000346523	O=C3CC1(CN2CCC1CC2)C(=O)N3
COc1ccccc1OCc2ccc(C(=O)NCCN(C)C)o2	ZINC000000115387	C(Oc1ccccc1)c2ccco2
Cc4ccc(N1C(=O)CCS[C@@]13C(=O)Nc2ccccc23)cc4	ZINC000000033972	O=C1CCSC4(N1c2ccccc2)C(=O)Nc3ccccc34
Cc3ccc(/N=C/c2ccc(OC(=O)c1ccccc1Cl)cc2)cc3	ZINC000000084971	O=C(Oc2ccc(C=Nc1ccccc1)cc2)c3ccccc3
CC(=O)c2c(C)nc1ccccc1c2N	ZINC000000033978	c2ccc1ncccc1c2
ClC1=CC[C@@H]3[C@H](C1)C(=O)N(CCNC2CCCCC2)C3=O	ZINC000000105276	O=C2C1CC=CCC1C(=O)N2CCNC3CCCCC3
O=C(Nc1cccc(C#N)c1)c2ccccc2	ZINC000000046446	O=C(Nc1ccccc1)c2ccccc2
COc2ccc(c1nnc(N)o1)cc2	ZINC000000043879	c2ccc(c1nnco1)cc2
COc2ccc1ccccc1c2CN=NC(N)=S	ZINC000000046442	c2ccc1ccccc1c2
Cc3ccc(NC(=S)N/N=C/c2ccc1ccccc1c2)cc3	ZINC000000046448	S=C(NN=Cc2ccc1ccccc1c2)Nc3ccccc3
CC(=O)n2ccc(C(=O)Nc1nccs1)n2	ZINC000000032374	O=C(Nc1nccs1)c2cc[nH]n2
CNC1=NS(=O)(=O)c2ccccc12	ZINC000000078699	O=S2(=O)N=Cc1ccccc12
C[C@@H](N)Cc2c1CCCn1c3ncccc23	ZINC000000027180	C3Cc2cc1cccnc1n2C3
CC(=O)Nc2cccc(OC(=O)c1ccoc1C)c2	ZINC000000032378	O=C(Oc1ccccc1)c2ccoc2
Brc2nc1ccccc1[nH]2	ZINC000000158652	c2ccc1[nH]cnc1c2
NC(=N)N1CCS(=O)(=O)CC1	ZINC000036162131	O=S1(=O)CCNCC1
CCN(CC)Cc2ccc(NC(=O)c1ccc(C(C)(C)C)cc1)cc2	ZINC000000568244	O=C(Nc1ccccc1)c2ccccc2
CC[n+]2cc(N)nc(c1ccc(Br)cc1)n2	ZINC000000506409	c2ccc(c1nccnn1)cc2
CC(NCC1CCNCC1)=C2C(=O)CC(C)(C)CC2=O	ZINC000000246936	O=C1CCCC(=O)C1=CNCC2CCNCC2
COC(=O)c1ccc(\C=N\NC(N)=S)n1c2ccc(F)cc2	ZINC000000110714	c2ccc(n1cccc1)cc2
O=c2[nH]c1nc[nH]c(=S)c1[nH]2	ZINC000001595878	O=c2[nH]c1nc[nH]c(=S)c1[nH]2
Fc2ccc(\C=N\n1cnnc1)cc2	ZINC000000060136	C(=Nn1cnnc1)c2ccccc2
Cn3c(Sc2nc1ccccc1[nH]2)nc4n(C)c(=O)n(C)c(=O)c34	ZINC000000033396	O=c4[nH]c(=O)c3[nH]c(Sc2nc1ccccc1[nH]2)nc3[nH]4
CCOc1ccccc1N4C(=O)[C@H]3[C@H]2C[C@H](C=C2)[C@@]3(C)C4=O	ZINC000000051350	O=C3C2C1CC(C=C1)C2C(=O)N3c4ccccc4
CCc2n(C)c1ccccc1[n+]2C[C@H](O)COc3cccc(C)c3	ZINC000000307215	C(COc1ccccc1)C[n+]2c[nH]c3ccccc23
Fc3cc(Cl)c(C(=O)NCc2ccc1OCOc1c2)cc3F	ZINC000000051353	O=C(NCc2ccc1OCOc1c2)c3ccccc3
CCOC(=O)N=c2oc1ccccc1o2	ZINC000000045407	N=c2oc1ccccc1o2
C[C@@H]4C[N+]1(CCCCC1)C[C@@](O)(c3ccc2ccccc2c3)O4	ZINC000000162693	C1CC[N+]4(CC1)CCOC(c3ccc2ccccc2c3)C4
CCOC(=O)C2CCN(C1CCN(C)CC1)CC2	ZINC000000300887	C2CCN(C1CCNCC1)CC2
CC(C)N[C@H]([C@H](O)c1ccccc1)c2ccccc2	ZINC000000057004	C(Cc1ccccc1)c2ccccc2
CC[C@@H](C)c1ccccc1NC(=O)c3cc2cccc(N(=O)=O)c2[nH]3	ZINC000000171593	O=C(Nc1ccccc1)c3cc2ccccc2[nH]3
CC[N+](C)(C)Cc1ccccc1Br	ZINC000000001041	c1ccccc1
COc1ccc(NC(=S)NCCN(C)C)cc1	ZINC000000460027	c1ccccc1
COc2ccc1C(=O)[C@H](C)[C@H](O)Oc1c2	ZINC000000134658	O=C1CCOc2ccccc12
NOCc1ccc(Br)c(O)c1	ZINC000000001045	c1ccccc1
CN(C)[C@@H]1CCCC[C@H]1NC(=O)c2ccc(Br)cc2	ZINC000000001048	O=C(NC1CCCCC1)c2ccccc2
COc2cc(O)c([C@@H](C)c1cc(OC)c(OC)c(OC)c1)cc2O	ZINC000000044517	C(c1ccccc1)c2ccccc2
CN(/N=C/c1ccncc1)C2=NCCN2	ZINC000000255661	C2CN=C(NN=Cc1ccncc1)N2
Cc2ccc(NC(=O)c1ccccc1N(=O)=O)cc2F	ZINC000000038911	O=C(Nc1ccccc1)c2ccccc2
CN(C)CC(C)(C)C1OCC2(CO1)COC(C(C)(C)CN(C)C)OC2	ZINC000000800688	C1OCC2(CO1)COCOC2
Cc2cc(C(F)(F)F)n1nc(C(N)=O)cc1n2	ZINC000000033029	c2cnc1ccnn1c2
FC(F)(F)c3ccc(CC(=O)N1CCCC[C@@H]1CN2CCCC2)cc3	ZINC000000596666	O=C(Cc1ccccc1)N2CCCCC2CN3CCCC3
COc2cc1CC(C)(C)NC(=NN)c1cc2OC	ZINC000000170246	N=C1NCCc2ccccc12
COc3cccc([C@H]2CC(c1c(O)cc(C)oc1=O)=NCCS2)c3	ZINC000000027326	O=c1occcc1C3=NCCSC(c2ccccc2)C3
Clc3ccc(N2C[C@@H]1CCNC[C@@H]12)cn3	ZINC000000027328	C3CC2CN(c1cccnc1)C2CN3
CCc1c(O)c(=O)ccn1CC	ZINC000000001220	O=c1cc[nH]cc1
CCN(CC)C(=O)[C@@H](C)Oc1ccccc1	ZINC000000030610	c1ccccc1
Nc1nccc2cccnc12	ZINC000000154302	c2cnc1cnccc1c2
CN(C)CCNc1c(N)c(=O)oc2ccccc12	ZINC000000272731	O=c2ccc1ccccc1o2
NC(=O)OC1CCCC1	ZINC000000347585	C1CCCC1
C[C@@H]1CCc2c(C1)sc3[nH]cnc(=O)c23	ZINC000000048678	O=c2nc[nH]c3sc1CCCCc1c23
O=C(N[C@@H]1CN2CCC1CC2)c3ccco3	ZINC000000010541	O=C(NC1CN2CCC1CC2)c3ccco3
CC[C@@]3(O)CC[N@]2CCc1ccc(C)cc1[C@@H]2C3	ZINC000000000795	C3CCN2CCc1ccccc1C2C3
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c2ccsc2	ZINC000000036477	N2C=CC(c1ccsc1)C=C2
Cc2ccc(c1cnco1)cc2	ZINC000000106311	c2ccc(c1cnco1)cc2
CCCN2CCC([N@@](C)C1CCN(C)CC1)CC2	ZINC000000221721	C2CC(NC1CCNCC1)CCN2
CC(=O)NN4[C@@H](c2nc1ccccc1[nH]2)Nc3ccccc3C4=O	ZINC000000054552	O=C3NC(c2nc1ccccc1[nH]2)Nc4ccccc34
CC(=O)Nc1ccc(F)c(C#N)c1	ZINC000000078987	c1ccccc1
O=C(COc1ccccc1)Nc3ccc(N2CCOCC2)cc3	ZINC000000037873	O=C(COc1ccccc1)Nc3ccc(N2CCOCC2)cc3
O[C@@H]3N=C(c1ccccc1)c2cc(Cl)ccc2NC3=O	ZINC000000000575	O=C3CN=C(c1ccccc1)c2ccccc2N3
Cc1[nH]c(C=O)c(C)c1C#N	ZINC000000052981	c1cc[nH]c1
CC(C)NC[C@H]2CCc1cc(CO)c(N(=O)=O)cc1N2	ZINC000000000570	C2CNc1ccccc1C2
C[C@@H]2Sc1ccccc1NC2=O	ZINC000000037876	O=C2CSc1ccccc1N2
CN(C)CCNC(=O)c2ccc1nc(C)c(C)nc1c2	ZINC000000217453	c2ccc1nccnc1c2
COc2ccc(CN[C@@H]1CCSC1)c(OC)c2	ZINC000000217456	C2CC(NCc1ccccc1)CS2
CC(=O)N3CCc4cc(NC2CCN(Cc1ccccc1)CC2)ccc34	ZINC000000007074	C4Cc3cc(NC2CCN(Cc1ccccc1)CC2)ccc3N4
O=Cc2ccc(OC(=O)c1ccco1)cc2	ZINC000000040517	O=C(Oc1ccccc1)c2ccco2
C[N@]2C[C@]3(C)CN(C(=S)Nc1ccccc1)C[C@](C)(C2)C3	ZINC000000346323	S=C(Nc1ccccc1)N3CC2CNCC(C2)C3
FC(F)(F)[C@H]1CCCN1	ZINC000002506707	C1CCNC1
FC(F)(F)c3cc(c1cccs1)nc(NCCc2ccccc2)n3	ZINC000000213296	C(Cc1ccccc1)Nc3nccc(c2cccs2)n3
CCC1=NC(C)(C)CO1	ZINC000000156967	C1CN=CO1
C2CNC1=NCCCN1C2	ZINC000000156961	C2CNC1=NCCCN1C2
CN1CCC4(CC1)NC(=O)N(CN3CCN(C/C=C/c2ccccc2)CC3)C4=O	ZINC000022785936	O=C2NC1(CCNCC1)C(=O)N2CN4CCN(CC=Cc3ccccc3)CC4
Cc1ccccc1NN=C(C#N)C(N)=S	ZINC000000046208	c1ccccc1
Clc2ccc(C(=O)CSC1=NCCN1)cc2	ZINC000000374911	O=C(CSC1=NCCN1)c2ccccc2
CC(=O)Nc1ccoc1	ZINC000000334498	c1ccoc1
CCn2nnc(C1=CCC[N@@](C)C1)n2	ZINC000000006302	C2CC=C(c1nn[nH]n1)CN2
N[C@@H](CO)Cc1c[nH]cn1	ZINC000000388732	c1c[nH]cn1
OC3(c1ccc(Cl)cc1)CCN(CCCC(=O)c2ccc(F)cc2)CC3	ZINC000000537822	O=C(CCCN2CCC(c1ccccc1)CC2)c3ccccc3
Cc1cccc(Cl)c1c2nn[nH]n2	ZINC000000093826	c2ccc(c1nn[nH]n1)cc2
COC(=O)c1ccccc1C	ZINC000000153306	c1ccccc1
Cc1ccc(C(N)=O)cc1Cl	ZINC000000153307	c1ccccc1
Cc4ccc(c3noc(COc2ccc1OCOc1c2)n3)cc4	ZINC000000034118	C4Oc3ccc(OCc2nc(c1ccccc1)no2)cc3O4
C[N+]2(C)CCN(C(=O)CCC(=O)N1CC[N+](C)(C)CC1)CC2	ZINC000000282351	O=C(CCC(=O)N1CCNCC1)N2CCNCC2
COC(=O)c3ccc(N2C(=O)C[C@H](NCc1ccccc1)C2=O)cc3	ZINC000000100543	O=C2CC(NCc1ccccc1)C(=O)N2c3ccccc3
COc2cccc(OCC(=O)Nc1cc(C)on1)c2	ZINC000000084708	O=C(COc1ccccc1)Nc2ccon2
O[C@@H]3C[C@@H](c1ccccc1)NC2(CCCC2)C3	ZINC000000088472	C1CCC3(C1)CCCC(c2ccccc2)N3
Cc1cc(F)c(F)cc1C(=O)n2ccnc2	ZINC000000051987	O=C(c1ccccc1)n2ccnc2
CC2=CC(C)(C)Nc3ccc(OC(=O)CCC1CCCCC1)cc23	ZINC000000075801	O=C(CCC1CCCCC1)Oc3ccc2NCC=Cc2c3
CCn2c[n+](C[C@@H](O)COc1ccc(F)cc1)c3cc(C)c(C)cc23	ZINC000000268775	C(COc1ccccc1)C[n+]2c[nH]c3ccccc23
COc2cc(CNC(=S)NCCc1ccc(F)cc1)ccc2O	ZINC000000025212	S=C(NCCc1ccccc1)NCc2ccccc2
Cc3cc2cc1c(C)cc(=O)oc1c(C)c2o3	ZINC000000002226	O=c3ccc2cc1ccoc1cc2o3
Cc3ccc(c2cn1ccc(C)cc1n2)cc3	ZINC000000023743	c3ccc(c2cn1ccccc1n2)cc3
Cc2nccc(N1CCN(S(C)(=O)=O)CC1)n2	ZINC000000013140	C2CN(c1ccncn1)CCN2
c4ccc3cc(c2cn1ccccc1n2)ccc3c4	ZINC000000023744	c4ccc3cc(c2cn1ccccc1n2)ccc3c4
COc3ccc(Oc2cccc(Oc1ccc(OC)cc1)c2C#N)cc3	ZINC000000139716	O(c1ccccc1)c3cccc(Oc2ccccc2)c3
COc3ccc(OC)c(NC(=O)Cn2c(=O)c1ccccc1c2=O)c3	ZINC000000044288	O=C(Cn2c(=O)c1ccccc1c2=O)Nc3ccccc3
CCSc1ccc(C[N+](C)(C)C)s1	ZINC000000048037	c1ccsc1
CC(C)CNS(=O)(=O)c1cccc2cc(N)ccc12	ZINC000000032962	c2ccc1ccccc1c2
Clc3ccc(c2noc(CSC1=NCCN1)n2)cc3	ZINC000000137811	C3CN=C(SCc2nc(c1ccccc1)no2)N3
Fc1cccc(C=O)c1	ZINC000000157155	c1ccccc1
O=c2[nH]c1ccccc1c(=O)n2CCN3CCSCC3	ZINC000000068770	O=c2[nH]c1ccccc1c(=O)n2CCN3CCSCC3
C[C@@H]1[C@H](C)C(=O)CC[N@]1CCc2ccccc2	ZINC000000039082	O=C2CCN(CCc1ccccc1)CC2
CN2CCC(NCc1ccccc1C(F)(F)F)CC2	ZINC000000214216	C2CC(NCc1ccccc1)CCN2
COc2ccc(C(=O)NC1CCN(C)CC1)cc2	ZINC000000039081	O=C(NC1CCNCC1)c2ccccc2
COc3ccc2n1CCN=C(NN)c1cc2c3	ZINC000000552518	C1Cn2c(C=N1)cc3ccccc23
C(C(c1ccccc1)c2ccccc2)c3c[nH]cn3	ZINC000000005987	C(C(c1ccccc1)c2ccccc2)c3c[nH]cn3
CC(=O)c1ccc(C(C)(C)C)cc1N	ZINC000000052066	c1ccccc1
C[N+](C)(C)CCON(=O)=O	ZINC000000001820	nonring
COC[C@H](O)C[N@]1C[C@@H]3C[C@H](C1)c2cccc(=O)n2C3	ZINC000000525451	O=c3cccc2C1CNCC(C1)Cn23
CCOC(=O)[C@@H]2CCCN(C(=O)N1CCOCC1)C2	ZINC000000031701	O=C(N1CCCCC1)N2CCOCC2
Cc2nn(c1ccccc1)c(C)c2C=O	ZINC000000065247	c2ccc(n1cccn1)cc2
Cc4ccc([n+]3cc(c1ccc(Br)cc1)n2CCCc23)cc4	ZINC000000622953	C1Cc3n(C1)c(c2ccccc2)c[n+]3c4ccccc4
Cc2cc(N)n(c1ccc(Br)cc1)n2	ZINC000000065243	c2ccc(n1cccn1)cc2
Clc3ccc(c2ccc(c1ncc[nH]1)o2)cc3	ZINC000000003793	c3ccc(c2ccc(c1ncc[nH]1)o2)cc3
COC(=O)CC[C@]1(C)C[N@@](C)[C@H](C)CC1=O	ZINC000000208145	O=C1CCNCC1
Cn1cc(C=O)c2ccccc12	ZINC000000158012	c2ccc1[nH]ccc1c2
O[C@@H](COc1ccc(N(=O)=O)cc1)Cn3c(=O)c2ccccc2c3=O	ZINC000000033561	O=c2n(CCCOc1ccccc1)c(=O)c3ccccc23
COc2ccc(CNS(=O)(=O)c1ccc(OCC(C)C)cc1)cc2	ZINC000000198261	O=S(=O)(NCc1ccccc1)c2ccccc2
Cn2c(=O)[nH]c(=O)c(=CC=Cc1ccccc1N(=O)=O)c2=O	ZINC000000086705	O=c2[nH]c(=O)c(=CC=Cc1ccccc1)c(=O)[nH]2
COc2ccc(C(=O)Nc1ccccc1C(C)C)cc2OC	ZINC000000029911	O=C(Nc1ccccc1)c2ccccc2
C[C@@H]4CN(c2ncnc3sc1CCCCc1c23)C[C@@H](C)O4	ZINC000000038144	C1CCc3c(C1)sc4ncnc(N2CCOCC2)c34
Cc1ccc(N(=O)=O)c2nsnc12	ZINC000000039558	c2ccc1nsnc1c2
CN(C)c2cc(C)nc(N1CCCCC1)c2C#N	ZINC000000204329	C2CCN(c1ccccn1)CC2
CC[N+](CC)(CC)C[C@@H](O)Cn1c(=O)sc2ccccc12	ZINC000000405488	O=c2[nH]c1ccccc1s2
NC(=O)c1cc(N(=O)=O)ccc1Cl	ZINC000000039556	c1ccccc1
CCn1c(C)[n+](CCO)c2cc(Cl)c(Cl)cc12	ZINC000000370115	c2ccc1[nH]cnc1c2
CN(C)C(=O)On1ccc(=[N+](C)C)cc1	ZINC000000259947	N=c1cc[nH]cc1
N#Cc1cccc(C#N)n1	ZINC000000039552	c1ccncc1
Cc1cc(C)[n+](F)c(C)c1	ZINC000000039434	c1ccncc1
COc1c(F)cc(Br)cc1N(=O)=O	ZINC000000039433	c1ccccc1
Cc2sc1[nH]c(=O)n(C)c(=O)c1c2C	ZINC000000274073	O=c2[nH]c(=O)c1ccsc1[nH]2
COC(=O)Nc1c(C)cc(C)cc1C	ZINC000000113724	c1ccccc1
S=c3[nH]c(N1CCOCC1)c2CCCc2c3C#N	ZINC000000495749	S=c3cc1CCCc1c(N2CCOCC2)[nH]3
COc2cccc(NC(=S)N(C)C1CCN(C)CC1)c2	ZINC000000109220	S=C(NC1CCNCC1)Nc2ccccc2
Nc2ncnc3n(CCN1CCCCC1)cnc23	ZINC000000490333	C3CCN(CCn1cnc2cncnc12)CC3
NC3=NC[C@@]1(CN2CCC1CC2)O3	ZINC000000014867	C1CN3CCC1C2(CN=CO2)C3
Nc2oc(c1ccccc1)nc2C#N	ZINC000000111657	c2ccc(c1ncco1)cc2
Nc1cccc(Cl)c1	ZINC000000047986	c1ccccc1
Cc2cccc(NC(=O)[C@H]1SC(=N)NC(O)=C1)c2	ZINC000000190871	N=C2NC=CC(C(=O)Nc1ccccc1)S2
CC[C@@H](C(=O)ON1C(=O)CCC1=O)c2ccccc2	ZINC000000018130	O=C(Cc1ccccc1)ON2C(=O)CCC2=O
CCOc1ccccc1C(=O)Nc2ccc(CC#N)cc2	ZINC000000037233	O=C(Nc1ccccc1)c2ccccc2
CC(=NNC(=O)CCc1ccccc1)c2cccc(N)c2	ZINC000000125107	O=C(CCc1ccccc1)NN=Cc2ccccc2
NC(=O)c1c(F)ccc(F)c1F	ZINC000000156357	c1ccccc1
Cc3cc(C)nc(NC(=N)N1CCCc2ccccc12)n3	ZINC000000069457	N=C(Nc1ncccn1)N2CCCc3ccccc23
O(c1ccccc1)c2nncc3ccccc23	ZINC000000005795	O(c1ccccc1)c2nncc3ccccc23
CN(C)c2cc(n1nc(C)cc1C)nc(C)n2	ZINC000000209631	c2cnn(c1ccncn1)c2
CN2C(C)(C)CC(=NOC(=O)c1ccccc1)CC2(C)C	ZINC000000053007	O=C(ON=C1CCNCC1)c2ccccc2
Fc2cc1c(=O)cc[nH]c1cc2N3CCOCC3	ZINC000000053005	O=c2cc[nH]c3cc(N1CCOCC1)ccc23
Cc1cc(=O)oc2ccc(O)cc12	ZINC000000034930	O=c2ccc1ccccc1o2
CCOc3ccc(\C=c2/sc(N1C[C@H](C)O[C@H](C)C1)nc2=O)cc3	ZINC000000090778	O=c2nc(N1CCOCC1)sc2=Cc3ccccc3
c1ccc3c(c1)[nH]c2cnccc23	ZINC000000066039	c1ccc3c(c1)[nH]c2cnccc23
CCOC(=O)c2cc1c(O)cccc1n2C	ZINC000000009020	c2ccc1[nH]ccc1c2
CCN(CC)c2ccc(\C=N\N1CCOCC1)cc2	ZINC000000282514	C2CN(N=Cc1ccccc1)CCO2
C[N@]4CCC[C@H](C(=O)n2c1ccccc1[nH]c(=O)c3cccnc23)C4	ZINC000000004265	O=C(C1CCCNC1)n3c2ccccc2[nH]c(=O)c4cccnc34
CNC(=O)[C@@H](C#N)C(=O)C1CC1	ZINC000000004263	C1CC1
Fc1cccc2c(=O)cc[nH]c12	ZINC000002564335	O=c1cc[nH]c2ccccc12
NCc2nc1CCOCc1c(=O)[nH]2	ZINC000097758211	O=c2[nH]cnc1CCOCc12
CC(C)[C@H]([N@]1C[C@H](C)O[C@H](C)C1)C(=O)N2CCC(N)CC2	ZINC000032057198	O=C(CN1CCOCC1)N2CCCCC2
Cn1cncc1CN2OCCC2=O	ZINC000000005245	O=C1CCON1Cc2cnc[nH]2
CCOC(=O)c1c3c(cc2sc(C)c(C)[n+]12)c5cccc4cccc3c45	ZINC000000629049	c3cc4cccc5c2c[n+]1ccsc1cc2c(c3)c45
Nc1c(C#N)nnn1c2ccc(Cl)cc2	ZINC000000075241	c2ccc(n1ccnn1)cc2
Oc1ccccc1C#N	ZINC000000388252	c1ccccc1
CC[N+](CC)(CCO)CCCN2C(=O)[C@@H]1CC=C(Cl)C[C@H]1C2=O	ZINC000000107352	O=C2NC(=O)C1CC=CCC12
C[C@@H]3Cc1scc[n+]1c2ccccc2N3C=O	ZINC000000112678	C3Cc1scc[n+]1c2ccccc2N3
CN(C)CCOC(=O)c2oc1ccccc1c2C	ZINC000000177171	c2ccc1occc1c2
CN(N)c1cccc(C)c1	ZINC000000348852	c1ccccc1
CC1(C)CC(=O)CC(C)(C)N1OC(=O)c2ccco2	ZINC000000036867	O=C2CCN(OC(=O)c1ccco1)CC2
OCC2=CC[N+]3(Cc1ccccc1)CC[C@H](O)[C@H]23	ZINC000000526751	C3CC1C=CC[N+]1(Cc2ccccc2)C3
CN4CCN(c3nc(NCc1ccco1)c2ccccc2n3)CC4	ZINC000000315706	C4CN(c3nc(NCc1ccco1)c2ccccc2n3)CCN4
CC2(C)OC(=O)C(=Cc1ccc[nH]1)C(=O)O2	ZINC000000138974	O=C1OCOC(=O)C1=Cc2ccc[nH]2
CC3(C)C(=O)Nc2cc(C(=O)Nc1ccccc1)ccc23	ZINC000000011459	O=C3Cc2ccc(C(=O)Nc1ccccc1)cc2N3
CC(=O)Nc3ccc(c2cn1ccsc1n2)cc3	ZINC000000052848	c3ccc(c2cn1ccsc1n2)cc3
Cn2ncc(C1=CCCNC1)n2	ZINC000000025029	C2CC=C(c1cn[nH]n1)CN2
Cc2cc(C)n1nc(C(O)=O)cc1n2	ZINC000000098389	c2cnc1ccnn1c2
COc1ccc(OC(=O)N(C)CCN)cc1	ZINC000000025026	c1ccccc1
Cc2ccc1oc(=O)c(C)c(O)c1c2	ZINC000000057836	O=c2ccc1ccccc1o2
Cc2nn(c1ccccc1)nc2CNS(=O)(=O)c3cn(C)c(C)n3	ZINC000000131700	O=S(=O)(NCc2cnn(c1ccccc1)n2)c3c[nH]cn3
CN2CNC(SCc1ccccc1)=NC2	ZINC000000144696	C2NCN=C(SCc1ccccc1)N2
C3Cc2cccc(NC1=NCCN1)c2C3	ZINC000000001563	C3Cc2cccc(NC1=NCCN1)c2C3
CCN(CC)CCn2c(c1ccccc1)noc2=N	ZINC000000001560	N=c2[nH]c(c1ccccc1)no2
Cc2ccc(n1cc(CN)cn1)cc2	ZINC000000333412	c2ccc(n1cccn1)cc2
Cn3cc2c(NC1=NCCN1)cccc2n3	ZINC000000001564	C3CN=C(Nc1cccc2n[nH]cc12)N3
C[C@H]1SC(=O)N=NC1c4ccc3NC(=O)C2(CC2)c3c4	ZINC000000025337	O=C4SCC(c3ccc2NC(=O)C1(CC1)c2c3)N=N4
Cc1ccc(\C=C(/C#N)C(N)=O)o1	ZINC000000043635	c1ccoc1
Cc1ccc(C=C(C#N)C#N)o1	ZINC000000043639	c1ccoc1
Cn2c(O)c(C(=O)Nc1ccccc1)c3cccnc23	ZINC000000014251	O=C(Nc1ccccc1)c2c[nH]c3ncccc23
CN(C)c2ccc(C(=NO)c1ccc(N(C)C)cc1)cc2	ZINC000000051570	N=C(c1ccccc1)c2ccccc2
CC(=O)NCC[N+](C)(C)C	ZINC000000369936	nonring
CC(C)[N@@](C)C2CCN(C(=S)Nc1ccccc1F)CC2	ZINC000000261000	S=C(Nc1ccccc1)N2CCCCC2
CC(=O)O[C@@H](C[N+]1(C)CCCCCC1)c2ccccc2	ZINC000000185815	C2CCCN(CCc1ccccc1)CC2
CCC[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F	ZINC000000030420	c1ccccc1
C[C@@H]1NC(=O)O[C@@H]1c2ccccc2	ZINC000000389615	O=C2NCC(c1ccccc1)O2
Cc2cc(Cl)c(N1CCNCC1)cc2S(C)(=O)=O	ZINC000000154110	C2CN(c1ccccc1)CCN2
C[C@@H](O)CN1CCCCC1	ZINC000000154441	C1CCNCC1
COc2ccc(CC(=O)Nc1ccccc1C(F)(F)F)cc2OC	ZINC000000030138	O=C(Cc1ccccc1)Nc2ccccc2
CC(=O)c2ccc(NC(=O)c1cccnc1Cl)cc2	ZINC000000043181	O=C(Nc1ccccc1)c2cccnc2
Cc1cc(N)nc(C)n1	ZINC000000154449	c1cncnc1
COc2cc(C(=O)NCCN1CCCC1)cc(OC)c2OC	ZINC000000529575	O=C(NCCN1CCCC1)c2ccccc2
Cc3ccc(S(=O)(=O)N2CCC(N1CCCCCC1)CC2)cc3	ZINC000000317257	O=S(=O)(N2CCC(N1CCCCCC1)CC2)c3ccccc3
Nc2nc(c1ccccc1)cn2/N=C/c3cccc(N(=O)=O)c3	ZINC000000240640	C(=Nn2cnc(c1ccccc1)c2)c3ccccc3
CC(=O)N(C(C)=O)c2nc(c1ccccc1)cn2/N=C/c3ccccc3	ZINC000000240644	C(=Nn2cnc(c1ccccc1)c2)c3ccccc3
CCN(CC)CCn2c(=O)[nH]c1ccccc1c2=O	ZINC000000139946	O=c2[nH]c(=O)c1ccccc1[nH]2
CCOC(=O)c3cc1COCOc1c(CSc2ccccn2=O)c3	ZINC000000165433	O=n1ccccc1SCc3cccc2COCOc23
COc2ccc(CN1C(=O)CNC1=S)cc2	ZINC000000076856	O=C1CNC(=S)N1Cc2ccccc2
COc3ccc(OC)c(C(=O)C[C@@]2(O)C(=O)Nc1ccc(C)cc12)c3	ZINC000000106859	O=C(CC1C(=O)Nc2ccccc12)c3ccccc3
C[C@@H]2[C@H](C)[C@@](O)(c1ccccc1)CC[N@]2C	ZINC000000239142	C2CC(c1ccccc1)CCN2
Cc4ccc3[nH]c(=O)c([n+]1ccccc1)c(c2ccccc2)c3c4	ZINC000000194566	O=c3[nH]c1ccccc1c(c2ccccc2)c3[n+]4ccccc4
Cc3ccc(S(=O)(=O)N1CCC(=O)c2ccccc12)cc3	ZINC000000054873	O=C2CCN(S(=O)(=O)c1ccccc1)c3ccccc23
Cn1c(=O)n(C)c2ccccc12	ZINC000000073681	O=c2[nH]c1ccccc1[nH]2
CCCc2cnc(N1CCCNCC1)nc2	ZINC000000066456	C2CNCCN(c1ncccn1)C2
Cc1cc(NC(=O)/C=C/C(O)=O)no1	ZINC000000097653	c1cnoc1
Cc2cccc(NS(=O)(=O)c1cccs1)c2C	ZINC000000073770	O=S(=O)(Nc1ccccc1)c2cccs2
CN2CCC(=NOc1ccc(N(=O)=O)cc1)CC2	ZINC000000262182	C2CC(=NOc1ccccc1)CCN2
CC(=O)Nc2ccc(CN1CCSCC1)cc2	ZINC000000199508	C2CN(Cc1ccccc1)CCS2
O=C(Cn1nnc2ccccc12)NCCN3CCCC3	ZINC000000383118	O=C(Cn1nnc2ccccc12)NCCN3CCCC3
NC(=N)c2cccc(c1ccnc(C(N)=N)n1)c2	ZINC000000011930	c2ccc(c1ccncn1)cc2
CCN(CC)C(=O)c1ccc(=O)[nH]c1	ZINC000000003544	O=c1cccc[nH]1
Cc1[nH]cnc1Cn4ccc3cc(Br)c2ccccc2c3c4=O	ZINC000000584910	O=c3n(Cc1c[nH]cn1)ccc4ccc2ccccc2c34
N#Cc2ccc(CSC1=NCCCN1)cc2	ZINC000000136829	C2CNC(SCc1ccccc1)=NC2
O[C@@H](CNC[C@@H](O)[C@H]2CCc1cc(F)ccc1O2)[C@H]4CCc3cc(F)ccc3O4	ZINC000000607986	C(CC2CCc1ccccc1O2)NCCC4CCc3ccccc3O4
Cc2ccc(Cc1cnc(N)s1)o2	ZINC000000053631	C(c1ccco1)c2cncs2
CN(C)C(=O)Nc1ccccc1	ZINC000000097471	c1ccccc1
Nc3ccc2nc(SCC(=O)N1CCCCC1)sc2c3	ZINC000000053632	O=C(CSc2nc1ccccc1s2)N3CCCCC3
C[C@@H](CC[N@]1C[C@@H]3C[C@H](C1)c2cccc(=O)n2C3)c4ccccc4	ZINC000000228709	O=c4cccc3C2CC(CN(CCCc1ccccc1)C2)Cn34
CC(C)NC(=O)[C@@H]2CN(c1ccccc1C)C(=O)C2	ZINC000000035070	O=C1CCCN1c2ccccc2
CCN(CC)C1=CC(=O)OC12CCCCC2	ZINC000000050024	O=C2OC1(CCCCC1)C=C2
CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN3CCOCC3	ZINC000020503804	C3CN(CC1CN2CCC1CC2)CCO3
Clc3ccc(c2cn1ccsc1n2)cc3	ZINC000000023689	c3ccc(c2cn1ccsc1n2)cc3
CCOC(=O)c3sc2nc(C)nc(N[C@@H]1CCCC[C@@H]1C)c2c3C	ZINC000000109508	C3CCC(Nc1ncnc2sccc12)CC3
CC(C)(O)C#CC(C)(C)O	ZINC000000109506	nonring
CC(=O)Nc2ncc(SCc1nc(C)c(C)o1)s2	ZINC000000023684	C(Sc1cncs1)c2ncco2
COc1ccc(/C=C/N(=O)=O)cc1O	ZINC000000033958	c1ccccc1
CN(C)CCc1cnccn1	ZINC000000395022	c1cnccn1
CC(C)(C)NC(=O)N1CCCCC1	ZINC000000161790	C1CCNCC1
c4cncc(c2cnn3cc(c1ccncc1)cnc23)c4	ZINC000000026951	c4cncc(c2cnn3cc(c1ccncc1)cnc23)c4
Clc2cc(Cl)c(NC(=O)COc1ccccc1)cc2Cl	ZINC000000046468	O=C(COc1ccccc1)Nc2ccccc2
Cc2cc(C=c1[nH]c(=O)[nH]c1=O)c(C)n2c3ccncc3	ZINC000000070514	O=c3[nH]c(=O)c(=Cc2ccn(c1ccncc1)c2)[nH]3
O=C2C[C@H](N1CCCCC1)C(=O)N2c3ccccc3	ZINC000000102080	O=C2CC(N1CCCCC1)C(=O)N2c3ccccc3
OCCN(CCO)CC(=O)N(C1CCCCC1)C2CCCCC2	ZINC000000251383	C2CCC(NC1CCCCC1)CC2
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc2ccc(O)c(O)c2	ZINC000000012342	C(CCc1ccccc1)Cc2ccccc2
CC1NC(=O)NC(=O)C1=O	ZINC000000013352	O=C1CNC(=O)NC1=O
CSc2cc(c1cccs1)n[nH]2	ZINC000000079638	c2csc(c1cc[nH]n1)c2
NCCc1c[nH]cn1	ZINC000000388081	c1c[nH]cn1
CCN3CCN(c2ccc(C(=O)NCC[C@@H]1CCCC[N@]1C)cn2)CC3	ZINC000011841149	O=C(NCCC1CCCCN1)c3ccc(N2CCNCC2)nc3
C[n+]1ccccc1Br	ZINC000000333258	c1ccncc1
CN(C(=O)CN1CCCCC1)C(C)(C)C(=O)c2ccccc2Cl	ZINC000000395796	O=C(CN1CCCCC1)NCC(=O)c2ccccc2
O=C(CN1CCCCC1)N2CCNC2=O	ZINC000000395791	O=C(CN1CCCCC1)N2CCNC2=O
Cc1ccc(O)c(C)n1	ZINC000000163498	c1ccncc1
O=C(N1CCNCC1)N2CCOCC2	ZINC000000079633	O=C(N1CCNCC1)N2CCOCC2
CCOc1ccccc1[C@@H]2NC(=S)N=C(C)C2C(=O)OCC(C)C	ZINC000000044536	S=C2NC(c1ccccc1)CC=N2
c3ccc(c1c[nH]n2ccnc12)cc3	ZINC000000011608	c3ccc(c1c[nH]n2ccnc12)cc3
Cc2c(c1cccs1)nn3cc[nH]c23	ZINC000000011609	c3csc(c2cc1[nH]ccn1n2)c3
O=N(=O)c3ccc(CN2CCN(C1CCCCC1)CC2)cc3	ZINC000000178723	C3CCC(N2CCN(Cc1ccccc1)CC2)CC3
C/C(=N\NC(N)=S)c1ccc(C)o1	ZINC000000060117	c1ccoc1
COC(=O)CN3[C@@H](c1ccccc1)c2cc(Cl)ccc2N=C3C	ZINC000000069847	N2C=Nc1ccccc1C2c3ccccc3
O=C3N[C@@H]2NC(=O)N(C1CCCCC1)[C@H]2N3	ZINC000000127847	O=C3NC2NC(=O)N(C1CCCCC1)C2N3
CC(=O)NC(=O)c1ccccc1O	ZINC000000002051	c1ccccc1
OCc1ccccc1O	ZINC000000002054	c1ccccc1
C[N@@](Cc1ccccc1N)C2CCCCC2	ZINC000000057065	C2CCC(NCc1ccccc1)CC2
Clc2ccc1c(=O)c(C=O)coc1c2	ZINC000000057791	O=c1ccoc2ccccc12
NNc1ccc(C(F)(F)F)cc1	ZINC000000159631	c1ccccc1
NCCc1ccn[nH]1	ZINC000000001028	c1cn[nH]c1
CN(C1CC(C)(C)N(C)C(C)(C)C1)C(=O)c2ccc(N)cc2	ZINC000000082342	O=C(NC1CCNCC1)c2ccccc2
Cc2cc(C)c(S(=O)(=O)NC[C@@H]1CCCO1)c(C)c2	ZINC000000029455	O=S(=O)(NCC1CCCO1)c2ccccc2
Fc3cccc(C(=O)c2ccc(N1CCNCC1)cc2)c3	ZINC000000280659	O=C(c1ccccc1)c3ccc(N2CCNCC2)cc3
CCN(CC)c2ccc(\C=N\n1c(C)cc(C)c(C#N)c1=O)c(O)c2	ZINC000000038930	O=c1ccccn1N=Cc2ccccc2
On2c(=O)c1ccccc1c2=O	ZINC000000098179	O=c1[nH]c(=O)c2ccccc12
CCN(CC)c2ccc(\C=N\n1c(C)cc(C)cc1=O)cc2	ZINC000000038932	O=c1ccccn1N=Cc2ccccc2
CN(c1ccccc1)C3(O)C(=O)c2ccccc2C3=O	ZINC000000051089	O=C2C(Nc1ccccc1)C(=O)c3ccccc23
O=C(C1=NNC[C@H]1c3ccc2OCOc2c3)c5ccc4ccccc4c5	ZINC000000085966	O=C(C1=NNCC1c3ccc2OCOc2c3)c5ccc4ccccc4c5
NCc1ccccc1OC(F)(F)F	ZINC000000165237	c1ccccc1
C[N@]1CCC[C@@H]1c2cccnc2	ZINC000000001798	C2CNC(c1cccnc1)C2
COc1ccccc1CNCc2ccncc2	ZINC000000200692	C(NCc1ccncc1)c2ccccc2
Clc3ccc(\C=N\N=C(/C(=O)c1ccccc1)c2ccccc2)cc3	ZINC000000067728	O=C(C(=NN=Cc1ccccc1)c2ccccc2)c3ccccc3
CC1(C)O[C@@H]2C[C@H]1C[C@H](O)[C@@]2(C)O	ZINC000000193428	C1CC2COC(C1)C2
C3CCN(Nc1ncnc2ccsc12)CC3	ZINC000000116566	C3CCN(Nc1ncnc2ccsc12)CC3
OC(=O)[C@@H]1CCCN1C(=O)Cc2ccccc2	ZINC000000076075	O=C(Cc1ccccc1)N2CCCC2
C[n+]1ccc(C#N)cc1	ZINC000000159243	c1ccncc1
COc2ccc(NC(=O)c1ccco1)cc2NC(=O)C(C)(c3ccccc3)c4ccccc4	ZINC000000624057	O=C(Nc2cccc(NC(=O)c1ccco1)c2)C(c3ccccc3)c4ccccc4
CN(C)CCNC(=O)C23CCC1C[C@@H](C[C@@H](C1)C2)C3	ZINC000000437951	C1CC2CC3CC1CC(C2)C3
Cc2ncc(C[n+]1csc(C)c1C)c(N)n2	ZINC000000278001	C(c1cncnc1)[n+]2ccsc2
CC2(C)OC(=O)C(C=Nc1cc(C(F)(F)F)ccc1Cl)C(=O)O2	ZINC000000215655	O=C1OCOC(=O)C1C=Nc2ccccc2
CCOC(=O)N1CCC(NCC(C)(C)CN(C)C)CC1	ZINC000000753465	C1CCNCC1
C[n+]1ccccc1CC(=O)c2ccc(Br)cc2	ZINC000000026307	O=C(Cc1ccccn1)c2ccccc2
CN(C)CCOC(=O)c1ccccc1	ZINC000000301115	c1ccccc1
CNc2ncnc3cc(C1=NNC(=O)C[C@@H]1C)ccc23	ZINC000000004260	O=C3CCC(c2ccc1cncnc1c2)=NN3
COc1cc(OC)c(CN)c(OC)c1	ZINC000000056681	c1ccccc1
C3Cc2cc(c1cc[nH]n1)ccc2O3	ZINC000000150005	C3Cc2cc(c1cc[nH]n1)ccc2O3
CC(C)(C)OC(=O)NC1CCC(CN)CC1	ZINC000000153953	C1CCCCC1
OCCN3C(=O)[C@@H]2C4c1ccccc1C([C@H]2C3=O)c5ccccc45	ZINC000000053833	O=C1NC(=O)C3C1C4c2ccccc2C3c5ccccc45
C4CN(CCn2c(NCc1ccco1)nc3ccccc23)CCO4	ZINC000000350258	C4CN(CCn2c(NCc1ccco1)nc3ccccc23)CCO4
COC(=O)CNC(=O)c1ccn[nH]1	ZINC000000045729	c1cn[nH]c1
NS(=O)(=O)c1ccccc1Cl	ZINC000000295271	c1ccccc1
C[C@H]1CC(=O)NN=C1c3cc(n2ccnc2)cs3	ZINC000000000517	O=C3CCC(c2cc(n1ccnc1)cs2)=NN3
Clc2cc(Cl)c(NC(=O)NCc1ccco1)c(Cl)c2	ZINC000000040530	O=C(NCc1ccco1)Nc2ccccc2
Fc1ccccc1NC(=O)c2cccnc2	ZINC000000040531	O=C(Nc1ccccc1)c2cccnc2
Fc2ccc(C1=CC[N@@](CC=C)CC1)cc2	ZINC000000010230	C2CC(c1ccccc1)=CCN2
CC3(C)Cc1ccccc1c2nnnn23	ZINC000000050561	C2Cn1nnnc1c3ccccc23
CCN(CC)CCn2c(C)nn3c1ccccc1nc23	ZINC000000085349	c1ccc2c(c1)nc3[nH]cnn23
CC(=O)Nc1cccc[n+]1C	ZINC000000241479	c1ccncc1
OC(=O)c4cn(C1CC1)c3cc(N2CCNCC2)c(F)cc3c4=O	ZINC000000020220	O=c3ccn(C1CC1)c4cc(N2CCNCC2)ccc34
Cn4c(Sc2c1CCCc1nc3ncnn23)nnc4c5ccccc5	ZINC000000154589	C5Cc4nc1ncnn1c(Sc3nnc(c2ccccc2)[nH]3)c4C5
CNC(=O)Oc3ccc(c2c[n+]1ccccc1n2C)cc3	ZINC000000387356	c3ccc(c2c[n+]1ccccc1[nH]2)cc3
C[C@@H](NC[C@H](O)Cn2c1ccccc1c3ccccc23)c4ccccc4	ZINC000000406582	C(CNCc1ccccc1)Cn3c2ccccc2c4ccccc34
C[n+]1ccccc1COc2ccc(C(N)=O)cc2	ZINC000000387350	C(Oc1ccccc1)c2ccccn2
NS(=O)(=O)[C@@H]1CCCNC1	ZINC000019489142	C1CCNCC1
CN3CCN(NC(=O)CSc1nccc2ccccc12)CC3	ZINC000000532011	O=C(CSc1nccc2ccccc12)NN3CCNCC3
Oc1ccc(C#N)cc1	ZINC000000388759	c1ccccc1
CCOC(=O)N2CCN(C(=O)CSc1ccccc1)CC2	ZINC000000037727	O=C(CSc1ccccc1)N2CCNCC2
Clc2ccc(OCC(=O)Oc1ccc(C=O)cc1)cc2	ZINC000000031948	O=C(COc1ccccc1)Oc2ccccc2
COCc2nc1nccnc1c(=O)[nH]2	ZINC000000012984	O=c1[nH]cnc2nccnc12
CC[N+]3(C)CCC[C@H](OC(=O)C(O)(c1ccccc1)c2ccccc2)C3	ZINC000000601314	O=C(OC1CCCNC1)C(c2ccccc2)c3ccccc3
C3CN=C(NCC(c1ccccc1)c2ccccc2)N3	ZINC000000012989	C3CN=C(NCC(c1ccccc1)c2ccccc2)N3
CC(=O)Nc2ccc(S(=O)(=O)NC1CCCCC1)cc2	ZINC000000028412	O=S(=O)(NC1CCCCC1)c2ccccc2
CCc1ccc(NN)cc1	ZINC000000088612	c1ccccc1
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	ZINC000000180497	c1ccoc1
CN(C)CCCN1CNC(=S)NC1	ZINC000000180366	S=C1NCNCN1
N#CC(=Cc1cccnc1)C#N	ZINC000000104275	c1ccncc1
Nc3c(Cl)cc(C(=O)NCCC12CCCN1CCC2)c4OCCc34	ZINC000000006321	O=C(NCCC12CCCN1CCC2)c4cccc3CCOc34
Cc3cccc(Nc1ncnc2ccc(N)cc12)c3	ZINC000000006328	N(c1ccccc1)c2ncnc3ccccc23
Cc2ccnc(NC(=O)c1cccs1)c2	ZINC000000051966	O=C(Nc1ccccn1)c2cccs2
C[N+]14CCCC[C@H]1[C@H](Cn3c(=O)c2ccccc2c3=O)CCC4	ZINC000000265582	O=c3n(CC1CCCN2CCCCC12)c(=O)c4ccccc34
O=n2ccc(N1CCOCC1)cc2	ZINC000000086873	O=n2ccc(N1CCOCC1)cc2
Clc1cncc(Cl)c1N2CCNCC2	ZINC000000127219	C2CN(c1ccncc1)CCN2
CCNC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2	ZINC000000052041	O=C(OCc1ccccc1)N2CCCC2
CC(C)c2[nH]c1ccccc1c2C(=O)c3cccnc3	ZINC000000001801	O=C(c1cccnc1)c2c[nH]c3ccccc23
C[C@H]1CCCC[N@]1Cc3c(C)n(C)n(c2ccccc2)c3=O	ZINC000000183148	O=c2c(CN1CCCCC1)c[nH]n2c3ccccc3
COC(=O)c2ccc([C@@H]1NC(=O)CS1)cc2	ZINC000000203018	O=C2CSC(c1ccccc1)N2
Cn2ccc3c(NC(=O)Nc1cccnc1)cccc23	ZINC000000016405	O=C(Nc1cccnc1)Nc2cccc3[nH]ccc23
FC(F)(F)c3ccc2n(C1CCNCC1)nnc2c3	ZINC000000161651	C3CC(n1nnc2ccccc12)CCN3
Cc2cc(C)n(C(=O)c1ccc(Br)o1)n2	ZINC000000035666	O=C(c1ccco1)n2cccn2
Cc2cccn3C(c1ccco1)=NC(C(F)(F)F)(C(F)(F)F)N=c23	ZINC000000032940	C3N=C(c1ccco1)n2ccccc2=N3
FC(F)(F)c2c1CCCCc1nc3c(C#N)cnn23	ZINC000000032941	C3CCc2nc1ccnn1cc2C3
Cc2ccc(C[n+]1nc(C)n(N)c1C)cc2	ZINC000000405173	C(c1ccccc1)[n+]2c[nH]cn2
Nc1cccc(C(F)(F)F)c1F	ZINC000000157175	c1ccccc1
CN1C(=O)C[C@@H]2C[C@@]1(C)Oc3ccccc23	ZINC000000027947	O=C1CC2CC(N1)Oc3ccccc23
CCOc2ccc(\C=N\n1c(SC)nnc(C(C)(C)C)c1=O)cc2	ZINC000000238547	O=c1cnncn1N=Cc2ccccc2
Cc2cc(C)n1n[s+]cc1n2	ZINC000000039573	c2cnc1c[s+]nn1c2
Cc1cc(=O)c(Br)cc1=O	ZINC000000087584	O=c1ccc(=O)cc1
NC(=O)CNC(=O)c1cccs1	ZINC000000039576	c1ccsc1
O=c2ccc(c1ccncc1)n[nH]2	ZINC000000080910	O=c2ccc(c1ccncc1)n[nH]2
CCC[C@H](C)C(=O)Nc1cc(C)on1	ZINC000000031765	c1cnoc1
CC2(C)C[C@]1(CCC[N@@](CCC(N)=O)C1)CCO2	ZINC000000330629	C1CNCC2(C1)CCOCC2
CC[n+]1c(C)sc2ccccc12	ZINC000000087588	c2ccc1scnc1c2
COc4ccc([C@@]2(O)CN1CCCCCC1=[N+]2c3ccccc3)c(F)c4	ZINC000000622937	C4CCN3CC(c1ccccc1)[N+](c2ccccc2)=C3CC4
Cc2[nH]c1c(Cl)c(Cl)ccc1c2CCN	ZINC000000091949	c2ccc1[nH]ccc1c2
CCN(CC)C(=O)Cc1cccs1	ZINC000000030609	c1ccsc1
Cc1nn(C)c(C)c1CN	ZINC000000158807	c1cn[nH]c1
Cc1cccc(C)c1NN	ZINC000000091946	c1ccccc1
COC(=O)c2ccc(\C=c1\[nH]c(=O)[nH]c1=O)cc2	ZINC000000073093	O=c2[nH]c(=O)c(=Cc1ccccc1)[nH]2
CC[n+]1c(SC)ccc2cc(OC)ccc12	ZINC000000078040	c2ccc1ncccc1c2
O=C(COC[C@@H]1CCC[N@]2CCCC[C@@H]12)N3CCOCC3	ZINC000000035447	O=C(COCC1CCCN2CCCCC12)N3CCOCC3
CC(C)=CCn1cnc(N)c2ncnc12	ZINC000000002209	c2nc1cnc[nH]c1n2
C[C@@]13CC[C@@H](O1)[C@H]2CNC[C@H]23	ZINC000000399245	C1CC2OC1C3CNCC23
CCn2c(=S)[nH]c(=O)\c(=C/c1ccc(OC)cc1OC)c2=O	ZINC000000087059	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
O[C@H]2CCN(C1CCNCC1)C2=O	ZINC000016698010	O=C1CCCN1C2CCNCC2
CN(C)CCOC(=O)Nc1ccc(Br)cc1	ZINC000000398078	c1ccccc1
C[C@@H](Oc1ccccc1F)C(=O)NCCN2CCCCC2	ZINC000000194049	O=C(COc1ccccc1)NCCN2CCCCC2
COC(=O)C1[C@@H](C)NC(=S)N=C1C	ZINC000000123244	S=C1NCCC=N1
C[N@]1CCC[C@H]1Cc3c[nH]c4ccc(CCS(=O)(=O)c2ccccc2)cc34	ZINC000000607845	O=S(=O)(CCc3ccc2[nH]cc(CC1CCCN1)c2c3)c4ccccc4
COC(=O)c2ccc(N(=O)=O)c(OC(=O)c1cccs1)c2	ZINC000000040885	O=C(Oc1ccccc1)c2cccs2
Clc2ccc(\C=N\S(=O)(=O)CCc1ccccc1)c(Cl)c2	ZINC000000066256	O=S(=O)(CCc1ccccc1)N=Cc2ccccc2
CC(=O)Oc2cccc(C(=O)Nc1ccccc1C(O)=O)c2	ZINC000000064175	O=C(Nc1ccccc1)c2ccccc2
N[C@@H]1CCCC[C@@H]1O	ZINC000000152726	C1CCCCC1
CN(C)Cc1cc(C)c(O)c(C)c1	ZINC000000152729	c1ccccc1
CC[C@H](N)C(=O)N2CC[C@@H]1OCCN[C@@H]1C2	ZINC000648133436	C2COC1CCNCC1N2
CC[C@@]2(OC(=O)c1ccccc1)C[C@@H](C)[N@@](C)C[C@@H]2C	ZINC000000079792	O=C(OC1CCNCC1)c2ccccc2
Oc2cnc(=c1ccc(=O)cc1)[nH]c2	ZINC000000403188	O=c2ccc(=c1nccc[nH]1)cc2
CC3(C)C[C@@](C)(c1ccccc1)c2ccccc2N3C(=O)c4ccco4	ZINC000000033723	O=C(N2CCC(c1ccccc1)c3ccccc23)c4ccco4
CC[n+]1cccn(C)c1=O	ZINC000000331938	O=c1nccc[nH]1
Cc3cc(=O)c2ccc1c(C)c(C)n(C)c1c2[nH]3	ZINC000000033728	O=c1cc[nH]c3c1ccc2cc[nH]c23
CC(=O)c2cc1OCOc1cc2NC(=O)c3c(Cl)cnn3C	ZINC000000046872	O=C(Nc2ccc1OCOc1c2)c3ccn[nH]3
NCC23C[C@H]1C[C@H](CC(O)(C1)C2)C3	ZINC000000244201	C1C2CC3CC1CC(C2)C3
Nc1cccc2CCCc12	ZINC000001708013	C2Cc1ccccc1C2
CC[C@H]1CCCC[N@]1Cc2c(O)ccc4c2oc(=O)c3ccccc34	ZINC000000045110	O=c3oc2c(CN1CCCCC1)cccc2c4ccccc34
NC(=O)CNC2Cc1ccccc1C2	ZINC000000009005	C2Cc1ccccc1C2
CNC(=O)N(O)c1ccccc1	ZINC000000281711	c1ccccc1
CN(C)CCNc2nc1n(C)c(=O)[nH]c(=O)c1n2CC=C	ZINC000000079570	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(=O)SCC[N+](C)(C)C	ZINC000000163689	nonring
Cc1ccc([C@@H](O)CN)cn1	ZINC000000518648	c1ccncc1
Cn3c(\C=N\c2ccc(Oc1ccc(F)cc1)nc2)ncc3N(=O)=O	ZINC000000092970	O(c1ccccc1)c3ccc(N=Cc2ncc[nH]2)cn3
Oc3ccc(C[C@@H]1CC2CCN1CC2)cc3O	ZINC000000092972	C1CN2CCC1CC2Cc3ccccc3
NC(=O)Nc1ccccc1F	ZINC000000156334	c1ccccc1
O[C@@H](c2ccc(c1ccccc1)cc2)c4cc3cc(N(=O)=O)ccc3o4	ZINC000000083750	C(c2ccc(c1ccccc1)cc2)c4cc3ccccc3o4
O=C(Nc1cccnc1)c3cc(=O)c2ccccc2o3	ZINC000000019246	O=C(Nc1cccnc1)c3cc(=O)c2ccccc2o3
Cc3ccc(N2C(=O)C[C@H](NC1CCCC1)C2=O)cc3	ZINC000000183123	O=C2CC(NC1CCCC1)C(=O)N2c3ccccc3
CN(C)c1cccc(O)c1	ZINC000000388587	c1ccccc1
CN(C)[C@@H]1CCCCNC1=O	ZINC000000388584	O=C1CCCCCN1
NC(=N)N1CCCC1	ZINC000000160882	C1CCNC1
C[C@@H](CO)NC(=O)OCC2c1ccccc1c3ccccc23	ZINC000000088585	C2c1ccccc1c3ccccc23
NCc1ccccc1N2CCCC2	ZINC000000094483	C2CCN(c1ccccc1)C2
O[C@H]1CNC[C@@H]1N2CCOCC2	ZINC000023094267	C2CC(N1CCOCC1)CN2
CC1CCN(S(C)(=O)=O)CC1	ZINC000000093598	C1CCNCC1
CNS(=O)(=O)c3cc(c1nn(C)c(=O)c2ccccc12)ccc3C	ZINC000000098817	O=c2[nH]nc(c1ccccc1)c3ccccc23
Clc1ccccc1COc3ccc(C(=O)Nc2cccnc2)cc3	ZINC000000141249	O=C(Nc1cccnc1)c3ccc(OCc2ccccc2)cc3
C/C(=N\NC(N)=S)c1ccc(C)nc1	ZINC000000092628	c1ccncc1
CC(C)c1ncc(N(=O)=O)n1C	ZINC000000001580	c1c[nH]cn1
CCN(CC)CCNC1=NCCc2ccccc12	ZINC000000001583	C2Cc1ccccc1C=N2
CN(C)CCn1cnc2ccccc12	ZINC000000315185	c2ccc1[nH]cnc1c2
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c2ccc(C)cc2C	ZINC000000043618	O2C=CC(c1ccccc1)C=C2
C[C@@H](O)CN(C[C@@H](C)O)Cc1ccc(Cl)cc1	ZINC000000279195	c1ccccc1
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c3ccccc3	ZINC000000038769	O=C1CCCC3=C1C(c2ccccc2)C=CO3
Cc2ccc(S(=O)(=O)Nc1cccc(F)c1)cc2	ZINC000000029665	O=S(=O)(Nc1ccccc1)c2ccccc2
COC(=O)c2ccc(CN1CCCC1)o2	ZINC000000315188	C2CCN(Cc1ccco1)C2
NC(=O)c1cccc(Cl)n1	ZINC000000283724	c1ccncc1
Cc1ccc(C)c(C=O)c1O	ZINC000000334847	c1ccccc1
Cc4ccc(n1nnnc1c2cnc(N)nc2c3ccccc3)cc4	ZINC000000068622	c4ccc(c1ncncc1c2nnnn2c3ccccc3)cc4
C[C@H]2C[n+]1c(C)cc(C)nc1S2	ZINC000000247160	C2C[n+]1cccnc1S2
O=c2n1CCCc1nc3ccsc23	ZINC000000011063	O=c2n1CCCc1nc3ccsc23
CCCC(=O)Nc2nnc(C1CCCCC1)s2	ZINC000000051551	C2CCC(c1nncs1)CC2
C[C@H](NC(=O)\C=C\c1ccccc1)c3nc2scc(C)c2c(=O)o3	ZINC000000007518	O=C(NCc2nc1sccc1c(=O)o2)C=Cc3ccccc3
C[C@@H]2[C@@H](c1ccccc1)NC(=O)N2C	ZINC000000155847	O=C2NCC(c1ccccc1)N2
CNC[C@@H](O)c1cc(OC)c(O)c(OC)c1	ZINC000000000231	c1ccccc1
CC(C)(C)C(=O)COc1cccc2nonc12	ZINC000000040700	c2ccc1nonc1c2
C[C@H]2Oc1ccc(Cl)cc1N(C[C@H](O)CO)C2=O	ZINC000000000235	O=C2COc1ccccc1N2
Cc2nc1ccccc1c(=O)n2C[C@H](O)CO	ZINC000000000234	O=c1[nH]cnc2ccccc12
CN(C)c2cc(c1ccccc1)nc(N)n2	ZINC000000040706	c2ccc(c1ccncn1)cc2
CN(C)CCNC(=O)c1ccccn1	ZINC000000544974	c1ccncc1
COc2cc(CNC1CCCCCC1)c(N(=O)=O)cc2OC	ZINC000000263064	C2CCCC(NCc1ccccc1)CC2
COc1cc(C)ccc1NC(=O)CCc2ccccc2	ZINC000000030405	O=C(CCc1ccccc1)Nc2ccccc2
CCC(C)(C)C(=O)Nc1ccc(C)cc1OC	ZINC000000030406	c1ccccc1
CC(C)(C)NC(=O)COc2ccc(CNCc1ccccn1)cc2	ZINC000000360654	C(NCc1ccccn1)c2ccccc2
Cc1coc(CC[N+](C)(C)C)c1	ZINC000000123403	c1ccoc1
O=C(CC(c1ccccc1)c2ccccc2)Nc3nccs3	ZINC000000030151	O=C(CC(c1ccccc1)c2ccccc2)Nc3nccs3
Cc1ccoc1CC[N+](C)(C)C	ZINC000000123401	c1ccoc1
COc1ccccc1CC(=O)NC2CCCC2	ZINC000000030159	O=C(Cc1ccccc1)NC2CCCC2
CN(C(=O)Cc1ccccc1)c2ccccc2	ZINC000000029273	O=C(Cc1ccccc1)Nc2ccccc2
NNc2ccc1[nH]c(=O)[nH]c1c2	ZINC000000039384	O=c2[nH]c1ccccc1[nH]2
CCOc1ccc(Br)cc1C[N+]2(C)CCOCC2	ZINC000000544622	C2CN(Cc1ccccc1)CCO2
COc2cc(\C=N\n1cnnc1)cc(Cl)c2O	ZINC000000034093	C(=Nn1cnnc1)c2ccccc2
CC(=O)Oc1cccc(C=C(C#N)C#N)c1	ZINC000000034094	c1ccccc1
Cn2c(=O)[nH]c(=O)\c(=C/c1ccc[nH]1)c2=O	ZINC000000440841	O=c2[nH]c(=O)c(=Cc1ccc[nH]1)c(=O)[nH]2
C[N@]1[C@H]4CCC[C@@H]1CC(NC(=O)c2nccc3ccccc23)C4	ZINC000000015188	O=C(NC1CC2CCCC(C1)N2)c3nccc4ccccc34
S=C(NC2CCN(Cc1ccccc1)CC2)Nc3cccnc3	ZINC000000066436	S=C(NC2CCN(Cc1ccccc1)CC2)Nc3cccnc3
COc1cc(Br)c(O)c(C=O)c1	ZINC000000153448	c1ccccc1
Cc1ccc(F)cc1NN	ZINC000000153119	c1ccccc1
Nc1ccccc1S(=O)(=O)C(F)F	ZINC000000101511	c1ccccc1
CCN(CC)CCOc1ccccc1C=O	ZINC000000153440	c1ccccc1
Cc1ccc(NN)cc1	ZINC000000153114	c1ccccc1
Nc2nnc(CCS(=O)(=O)c1ccc(Br)cc1)s2	ZINC000000289010	O=S(=O)(CCc1nncs1)c2ccccc2
CC1(C)C[C@@H]1C(=O)NCc2ccccc2	ZINC000000046016	O=C(NCc1ccccc1)C2CC2
COC(=O)c1sccc1N	ZINC000000105231	c1ccsc1
CN(C)C(=O)c1ccc(Cl)c(Cl)c1	ZINC000000029890	c1ccccc1
C/C(=C/c1ccccc1Cl)N(=O)=O	ZINC000000097906	c1ccccc1
CN2CCC(N(C)Cc1cccc(Br)c1)CC2	ZINC000000207667	C2CC(NCc1ccccc1)CCN2
COc1ccc(C(=O)N(CC#N)CC#N)c(OC)c1	ZINC000000029899	c1ccccc1
CCCN2CCC(N1CCN(S(C)(=O)=O)CC1)CC2	ZINC000000268253	C2CC(N1CCNCC1)CCN2
CC(=O)OC(C)(C)C#CCN1CCCC1	ZINC000000080635	C1CCNC1
COc3ccc(C=N[n+]2cnn(c1ccc(C)cc1)c2)cc3	ZINC000000162105	C(=N[n+]2cnn(c1ccccc1)c2)c3ccccc3
N#Cc2ccc(N1CCNCC1)nc2	ZINC000000127156	C2CN(c1ccccn1)CCN2
NC(=O)C3(N1CCCCC1)CCN(C(=O)N2CCOCC2)CC3	ZINC000000109525	O=C(N1CCOCC1)N3CCC(N2CCCCC2)CC3
Clc3cc1COCOc1c(C[n+]2ccccc2)c3	ZINC000000139344	C3OCc2cccc(C[n+]1ccccc1)c2O3
COc3ccc(C[C@H]1NCC[C@@]2(O)CCCC[C@H]12)cc3	ZINC000000191928	C1CCC2C(C1)CCNC2Cc3ccccc3
COc2ccc(NS(=O)(=O)N1CCCCC1)cc2	ZINC000000040802	O=S(=O)(Nc1ccccc1)N2CCCCC2
ClC(N1CCCC1)=[N+]2CCCC2	ZINC000000404790	C2CCN(C=[N+]1CCCC1)C2
COc1ccc(CC(N)=N)cc1	ZINC000000493890	c1ccccc1
CN3CCN(c2ccc(C(=O)c1ccc(F)cc1)cc2)CC3	ZINC000000129115	O=C(c1ccccc1)c3ccc(N2CCNCC2)cc3
CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1	ZINC000000057262	c1ccccc1
Clc4ccc(Cn2c(CN1CCCC1)nc3ccccc23)cc4	ZINC000000057260	C4CCN(Cc2nc1ccccc1n2Cc3ccccc3)C4
C[C@@H](c2cccc(C(=O)c1ccccc1)c2)c3cc(N)on3	ZINC000000002928	O=C(c1ccccc1)c3cccc(Cc2ccon2)c3
CCc2c(C)[nH]n(c1ccc(C)c(C)c1)c2=O	ZINC000000041544	O=c1cc[nH]n1c2ccccc2
O=N(=O)c1cccc2[nH]ccc12	ZINC000000082985	c2ccc1[nH]ccc1c2
NS(=O)(=O)c1ccc(F)cc1F	ZINC000000159612	c1ccccc1
Cc1cc(C(F)(F)F)cc(NN)n1	ZINC000000159611	c1ccncc1
Cc1occc1CO	ZINC000000159615	c1ccoc1
CCOC(=O)c2ccc(NC(=S)N1CCN(C)CC1)cc2	ZINC000000377754	S=C(Nc1ccccc1)N2CCNCC2
CNC(=O)c2cnc1cc(Cl)ccc1c2OC	ZINC000000054792	c2ccc1ncccc1c2
CN(C)CCn1c(C#N)cc2ccccc12	ZINC000000129803	c2ccc1[nH]ccc1c2
Fc3ccc2OCC[C@]1(NC(=O)NC1=O)c2c3	ZINC000000002070	O=C3NC(=O)C2(CCOc1ccccc12)N3
ONC(=O)CNC(=O)c1ccc(Cl)cc1	ZINC000000001008	c1ccccc1
Cc3ccc(/N=C/c1ccccc1OC(=O)c2ccc(Cl)cc2)cc3	ZINC000000058970	O=C(Oc1ccccc1C=Nc2ccccc2)c3ccccc3
COc1ncc(Br)c(OC)n1	ZINC000000057049	c1cncnc1
CNC(=S)NNS(=O)(=O)c1ccc(C)cc1	ZINC000000071775	c1ccccc1
CS(=O)(=O)C(=C/c2ccc(OCc1cc(F)cc(F)c1)cc2)/C#N	ZINC000000113065	C(Oc1ccccc1)c2ccccc2
CN(C)\C=N\c2ccn(Cc1ccccc1)c(=O)c2C#N	ZINC000000208480	O=c1ccccn1Cc2ccccc2
C[C@@H](O)[C@@H](O)c1ccc(C(N)=O)nc1	ZINC000000023800	c1ccncc1
COc4ccc(Cn2c(c1ccc(Cl)cc1)c[n+]3ccccc23)cc4	ZINC000000495020	C(c1ccccc1)n3c(c2ccccc2)c[n+]4ccccc34
Clc3ccc(S(=O)(=O)Nc2ccc1OCOc1c2)cc3	ZINC000000038959	O=S(=O)(Nc2ccc1OCOc1c2)c3ccccc3
COc2cnc1n(C)cc(CCNC(C)=O)c1c2	ZINC000000021664	c2cnc1[nH]ccc1c2
COc2ccc(n1c(=O)sn(C)c1=O)cc2	ZINC000000027363	O=c1[nH]sc(=O)n1c2ccccc2
CC[n+]1ccsc1NC(C)=O	ZINC000000039608	c1cscn1
Fc1ccc(CC#N)cc1F	ZINC000000155245	c1ccccc1
CC1(C)OC(=O)N(CC=C)[C@@]1(C)O	ZINC000000067705	O=C1NCCO1
CCN(CC)CCNc2ncnc3sc1COC(C)(C)Cc1c23	ZINC000000550138	C1Cc2c(CO1)sc3ncncc23
CCOC(=O)c1c(CNC(C)C)oc2ccc(OC)cc12	ZINC000000036656	c2ccc1occc1c2
Cc2cc(NC(=O)CCN1CCCCC1)no2	ZINC000000141003	O=C(CCN1CCCCC1)Nc2ccon2
CC(=O)[C@@H](N)c1ccccc1	ZINC000000165130	c1ccccc1
CC(C)C(=O)Nc1cccc(Cl)c1Cl	ZINC000000029784	c1ccccc1
Cc2ccc(CNC(=O)c1ccc(F)cc1)cc2	ZINC000000029780	O=C(NCc1ccccc1)c2ccccc2
S=c2[nH]c1ccccc1n2Cc3ccccn3	ZINC000000024819	S=c2[nH]c1ccccc1n2Cc3ccccn3
Nc2ccc(n1cccn1)cc2	ZINC000000158887	c2ccc(n1cccn1)cc2
Cn1cccc1c2ccccc2NCC3=NCCN3	ZINC000000026363	C3CN=C(CNc1ccccc1c2ccc[nH]2)N3
Cc1csc(C(N)=O)c1Cl	ZINC000000082236	c1ccsc1
CC(=O)Nc1nonc1n2c(C)ccc2C	ZINC000000054533	c2ccn(c1cnon1)c2
O=C1NCCNC1=CC(=O)c2ccccc2	ZINC000000054247	O=C1NCCNC1=CC(=O)c2ccccc2
O[C@@H](CNCc1ccccc1C(F)(F)F)C(F)(F)F	ZINC000000170280	c1ccccc1
Cn2c(SCCN1CCCCC1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000351096	O=c3[nH]c(=O)c2[nH]c(SCCN1CCCCC1)nc2[nH]3
Cn1cccc1CN	ZINC000000158567	c1cc[nH]c1
Cn1cccc1C(O)=O	ZINC000000158566	c1cc[nH]c1
COc3cc([C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2)cc(OC)c3O	ZINC000000034877	O=C1CCCC3=C1C(c2ccccc2)C=CO3
NC(=N)NN=C1CCOc2ccc(N(=O)=O)cc12	ZINC000000376663	N=C1CCOc2ccccc12
Fc4ccc([C@@H]1CCNC[C@@H]1COc3ccc2OCOc2c3)cc4	ZINC000000527387	C4CC(c1ccccc1)C(COc3ccc2OCOc2c3)CN4
Cc3cc(C)c(S(=O)(=O)N2C[C@H](c1ccccc1)CC2=O)c(C)c3	ZINC000000094838	O=C2CC(c1ccccc1)CN2S(=O)(=O)c3ccccc3
COc3ccc(NC(=O)CC[N@]2CCc1ccccc1C2)cc3	ZINC000000176614	O=C(CCN2CCc1ccccc1C2)Nc3ccccc3
CC1(C)N[C@@H](C(O)=O)Cc2c1[nH]c3ccccc23	ZINC000000037838	C1Cc2c(CN1)[nH]c3ccccc23
O[C@]24N=C(c1ccccc1)S[C@H]2Cc3cc(Cl)ccc34	ZINC000000008690	C3C2SC(c1ccccc1)=NC2c4ccccc34
O=N(=O)c2cccc(n1cccc1)c2	ZINC000000037525	c2ccc(n1cccc1)cc2
COC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000000037296	c1ccccc1
CC(C)NC[C@@H](O)c1ccc(N(=O)=O)cc1	ZINC000000000539	c1ccccc1
CN(C)CCNC(=O)c2cc(c1ccco1)nn2c3ccccc3	ZINC000000254874	c3ccc(n2ccc(c1ccco1)n2)cc3
COC(=O)CSC1=NS(=O)(=O)c2ccccc12	ZINC000000050541	O=S2(=O)N=Cc1ccccc12
CCC(=O)N[C@@H]1C[C@@H]3[C@@H](OC1=O)c2cccc(C)c2NC3=O	ZINC000000031960	O=C1CCC3C(O1)c2ccccc2NC3=O
C[N@]1C[C@@H]3C[C@H](C1)c2cccc(=O)n2C3	ZINC000000031963	O=c3cccc2C1CNCC(C1)Cn23
C[C@@H]1CC[N@](C(C)(C)C)CC1=O	ZINC000000062087	O=C1CCCNC1
C[C@@H]1CC(O)(C#C)C[C@@H](C)N1C	ZINC000000368497	C1CCNCC1
CC[C@H](C)Oc3ccc(C=c2c(=O)c1ccccc1c2=O)cc3OC	ZINC000000092163	O=c2c(=Cc1ccccc1)c(=O)c3ccccc23
CC2(C)OC(=O)N(c1ccccc1)/C2=C\C[N+](C)(C)C	ZINC000000123420	C=C1COC(=O)N1c2ccccc2
COc1ccc(Cl)cc1c3nc(N)nc(NN2CCCCC2)n3	ZINC000000407473	C3CCN(Nc2ncnc(c1ccccc1)n2)CC3
CN(C)C(=S)NC1CCCCC1	ZINC000000096880	C1CCCCC1
Cc3cc(C)nc(S[C@@H]2CC(=O)N(c1ccc(Cl)cc1)C2=O)n3	ZINC000000077223	O=C2CC(Sc1ncccn1)C(=O)N2c3ccccc3
C[C@@H]1C[N@@](C)CC(C)(C)[C@@]1(O)c2ccccc2	ZINC000000191241	C2CC(c1ccccc1)CCN2
CCN3C(=O)C[C@@]1(C[N+]2(C)CCC1CC2)C3=O	ZINC000000346794	O=C3CC1(CN2CCC1CC2)C(=O)N3
Cc2ccc1cc(C(N)=O)c(=N)oc1c2	ZINC000000183929	N=c2ccc1ccccc1o2
O=C(NC1CCCCCC1)\C=C\c3ccc2OCOc2c3	ZINC000000044073	O=C(NC1CCCCCC1)C=Cc3ccc2OCOc2c3
CC(=O)c1ccc(N)cc1	ZINC000000157539	c1ccccc1
Cn2c(c1ccc(NS(C)(=O)=O)cc1)c[n+]3ccccc23	ZINC000000387330	c3ccc(c2c[n+]1ccccc1[nH]2)cc3
Cc3ccc(C(=O)O[C@@H]1CN2CCC1CC2)cc3	ZINC000000135989	O=C(OC1CN2CCC1CC2)c3ccccc3
C[C@@H]2CC[C@@H](NC1CCC(O)CC1)C2	ZINC000000214786	C2CCC(NC1CCCC1)CC2
Nc3nc(N)c2c(Oc1ccc(F)cc1)cccc2n3	ZINC000000172625	O(c1ccccc1)c2cccc3ncncc23
COC(=O)[C@@]1(O)CN2CCC1CC2	ZINC000000172620	C1CN2CCC1CC2
CC(C)ON3[C@@H](c1ccccc1)N(C(=O)Nc2ccccc2)CC3=O	ZINC000000051944	O=C3CN(C(=O)Nc1ccccc1)C(c2ccccc2)N3
CC2[N+](=O)[C@@H](c1ccccc1C(F)(F)F)N(O)C2(C)C	ZINC000000195005	O=[N+]1CCNC1c2ccccc2
Nc1ccccc1C(=O)Nc2ccc(Cl)cc2	ZINC000000031299	O=C(Nc1ccccc1)c2ccccc2
NC(=O)COc1ccc(N(=O)=O)cc1	ZINC000000031295	c1ccccc1
CCOc2cc(C(=O)NCc1cccnc1)cc(OCC)c2OCC	ZINC000000030219	O=C(NCc1cccnc1)c2ccccc2
CC1(C)NCC[C@@]14C(=O)N(Cc2ccccc2)c3ccccc34	ZINC000000103654	O=C3N(Cc1ccccc1)c2ccccc2C34CCNC4
CC(=O)Nc3ccc2n(CCO)c1ccccc1[n+]2c3	ZINC000000387484	c1ccc3c(c1)[nH]c2cccc[n+]23
N#CCc1ccsc1	ZINC000000157111	c1ccsc1
CC1(C)C[C@@H](O)C[C@](C)(CN)C1	ZINC000000405118	C1CCCCC1
CS(=O)(=O)c3ccc(c2cn1ccccc1n2)cc3	ZINC000000002261	c3ccc(c2cn1ccccc1n2)cc3
Cc2nn(C)c3NCCN=C(c1cccc(Cl)c1)c23	ZINC000000002263	C3CN=C(c1ccccc1)c2cn[nH]c2N3
CCOC(=O)C1=C(C)NC(=O)NC1	ZINC000000101724	O=C1NCC=CN1
CCc1nnc(NC(=O)CC(O)=O)s1	ZINC000000039594	c1nncs1
CCc1cccc2cc([C@@H](O)CNC(C)(C)C)oc12	ZINC000000002269	c2ccc1occc1c2
CCc3ccc(O)c(C2(O)C(=O)c1ccccc1C2=O)c3	ZINC000000101720	O=C2C(c1ccccc1)C(=O)c3ccccc23
O/N=C/c1ccc(F)c(Cl)c1	ZINC000000106511	c1ccccc1
COc1cccc3c1sn4c2ccccc2c(=O)cc34	ZINC000000016688	O=c3cc2c1ccccc1sn2c4ccccc34
Cc1ccnn1c2ccccc2	ZINC000000158822	c2ccc(n1cccn1)cc2
CC(C)(C)CC(=O)NCc2ccc1OCOc1c2	ZINC000000031740	C2Oc1ccccc1O2
Fc1ccc(C#N)c(F)c1	ZINC000000159425	c1ccccc1
NC(=O)C3CCN(C[C@@H](O)Cc2ccc1OCOc1c2)CC3	ZINC000000119365	C3CCN(CCCc2ccc1OCOc1c2)CC3
CN2C[C@@H](C(=O)N1CCNCC1)NC2=O	ZINC000098193457	O=C2NCC(C(=O)N1CCNCC1)N2
Nc3cc(c2nc1ncccc1o2)ccc3Cl	ZINC000000038188	c3ccc(c2nc1ncccc1o2)cc3
C2CCC(=Nn1cnnc1)CC2	ZINC000000061067	C2CCC(=Nn1cnnc1)CC2
O=C(Cn2c(=O)c1ccc(N(=O)=O)cc1c2=O)Nc3ccccc3	ZINC000000067934	O=C(Cn2c(=O)c1ccccc1c2=O)Nc3ccccc3
Nc2nc(c1ccccc1)cn2Nc3ccccc3	ZINC000000174373	N(c1ccccc1)n3cnc(c2ccccc2)c3
CN1N=C(C)C[n+]2c(C)cccc12	ZINC000000386982	C1C=NNc2cccc[n+]12
COC(=O)c1cc(C)[nH]c1C	ZINC000000113271	c1cc[nH]c1
Cc2c(C#N)c1ccccc1n2C	ZINC000000049936	c2ccc1[nH]ccc1c2
Oc1ccccc1N2CCCC2	ZINC000000156640	C2CCN(c1ccccc1)C2
C[N+](C)(C)c1cccc(N)c1	ZINC000000403610	c1ccccc1
C2CN(c1ccccn1)CCN2Cc3c[nH]nc3c4ccccc4	ZINC000000151967	C2CN(c1ccccn1)CCN2Cc3c[nH]nc3c4ccccc4
CCOC(=O)c1cc(CC)sc1NC(=O)c3ccc2OCOc2c3	ZINC000000069678	O=C(Nc1cccs1)c3ccc2OCOc2c3
COc3ccc(OC(=O)c2cc1cc(N(=O)=O)ccc1oc2=O)cc3	ZINC000000063392	O=C(Oc1ccccc1)c3cc2ccccc2oc3=O
CC(C)[C@H]1COC(C)=N1	ZINC000000160247	C1CN=CO1
CCCN2CCC(Cc1ccc(F)cc1)CC2	ZINC000000017153	C2CC(Cc1ccccc1)CCN2
NC(=O)[C@@H]3C[C@@]1(NC(=O)NC1=O)c2cc(F)ccc2O3	ZINC000000002486	O=C3NC(=O)C2(CCOc1ccccc12)N3
C3CC(COCc1ccccc1)(c2ccccc2)CCN3	ZINC000000018461	C3CC(COCc1ccccc1)(c2ccccc2)CCN3
COC(=O)[C@H]1[C@H]3CC[C@@H](C[C@H]1c2ccc(I)cc2)[N@]3C	ZINC000000598412	C2CC3CC(c1ccccc1)CC2N3
NC(=N)c1ccc(N)cc1	ZINC000000156390	c1ccccc1
O=C1SCCN1Cc2ccccc2C#N	ZINC000000005067	O=C1SCCN1Cc2ccccc2
CC(C)[N@]3C[C@H]2C[C@H](CN(C(=O)c1ccccc1)C2)C3	ZINC000000005064	O=C(N2CC1CNCC(C1)C2)c3ccccc3
Nc1ccncc1N	ZINC000000164000	c1ccncc1
OC2CCN(c1ccccc1F)CC2	ZINC000000337376	C2CCN(c1ccccc1)CC2
Nc2ccc1cn[nH]c1c2C(O)=O	ZINC000000112588	c2ccc1[nH]ncc1c2
CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C	ZINC000000391932	O=C1CCC(=O)N1
COc5cc4nc(N1CCc2c(C1)ccc3ccccc23)nc(N)c4cc5OC	ZINC000000601652	C1Cc4c(CN1c3ncc2ccccc2n3)ccc5ccccc45
Nc1ccc(Br)cc1N	ZINC000000158488	c1ccccc1
CC(C)OC[C@H](O)C[N@]2CCc1ccccc1C2	ZINC000000465828	C2Cc1ccccc1CN2
Cn2c[n+](C[C@@H](O)COc1ccccc1)c3ccccc23	ZINC000000273019	C(COc1ccccc1)C[n+]2c[nH]c3ccccc23
C[C@@H]2CN(C(=O)COc1ccccc1OC(=O)N(C)C)C[C@@H](C)O2	ZINC000000074078	O=C(COc1ccccc1)N2CCOCC2
Cc1ccsc1[C@H](N)Cc2ccccc2	ZINC000000005289	C(Cc1cccs1)c2ccccc2
C[N+]12CCC[C@@H]1[C@@H]4C[C@H](C2)c3cccc(=O)n3C4	ZINC000000484948	O=c2cccc1C4CC(Cn12)C3CCCN3C4
CC(C)(C)c2cc(N1CCCC1=O)cc(C(C)(C)C)c2O	ZINC000000005286	O=C1CCCN1c2ccccc2
O[C@@H](CC2CCN(Cc1ccccc1)CC2)c3ccc(F)cc3	ZINC000000014992	C2CN(Cc1ccccc1)CCC2CCc3ccccc3
C[N@@](Cc1ccccc1)[C@@H]3CC(=O)N(c2ccccc2)C3=O	ZINC000000207046	O=C2CC(NCc1ccccc1)C(=O)N2c3ccccc3
Clc2ccc(C(=O)n1cc(N(=O)=O)cn1)c(Cl)c2	ZINC000000037194	O=C(c1ccccc1)n2cccn2
Cc4ccc(O)c(C3=C[C@@H](c1ccccc1)n2[nH]cnc2=N3)c4	ZINC000000278040	C3=C(c1ccccc1)N=c2nc[nH]n2C3c4ccccc4
C[C@H](CN[C@H]2CC(=O)N(c1ccc(C)cc1)C2=O)c3ccccc3	ZINC000000183104	O=C2CC(NCCc1ccccc1)C(=O)N2c3ccccc3
NCC(=O)N2CC[N@]1CCC[C@H]1C2	ZINC000037812584	C2CC1CNCCN1C2
CCC(CC)n1ccc3c1ccc2nc(N)nc(N)c23	ZINC000000015885	c3ncc2c(ccc1[nH]ccc12)n3
CCN(CC)Cc1cc(NC(C)=O)ccc1O	ZINC000000041095	c1ccccc1
CC(C)n4c(=O)c3c(c2noc(C1CC1)n2)ncn3c5ccccc45	ZINC000000004220	O=c4[nH]c1ccccc1n5cnc(c3noc(C2CC2)n3)c45
O=C1SCCN1Cc2ccccc2	ZINC000000004221	O=C1SCCN1Cc2ccccc2
CNc1nc(C)cc(C(F)(F)F)n1	ZINC000000140795	c1cncnc1
CC(C)CSc2nnc(COc1ccccc1)n2c3ccccc3	ZINC000000287555	C(Oc1ccccc1)c2nncn2c3ccccc3
CC(C)N2CCC(N(C(C)C)C(=S)Nc1ccccc1C)CC2	ZINC000000261484	S=C(NC1CCNCC1)Nc2ccccc2
CC(C)(C)c1cc(N)c(C#N)s1	ZINC000000082797	c1ccsc1
CCC(=O)Oc3ccc(N(C)C1=NS(=O)(=O)c2ccccc12)cc3	ZINC000000082799	O=S3(=O)N=C(Nc1ccccc1)c2ccccc23
Cc2n[nH]c(SCC(=O)Nc1ccc(Br)cn1)n2	ZINC000000051123	O=C(CSc1ncn[nH]1)Nc2ccccn2
COc3cc2N[C@H](c1ccccc1)[N+](=O)C(C)c2cc3OC	ZINC000000014171	O=[N+]2Cc1ccccc1NC2c3ccccc3
Cc1c(Cl)cccc1NC(=O)C(F)(F)F	ZINC000000038743	c1ccccc1
CC2CCN(C(=N)Nc1nc(C)cc(C)n1)CC2	ZINC000000075679	N=C(Nc1ncccn1)N2CCCCC2
Cn2cnc3n(C)c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)c23	ZINC000000047079	O=c2[nH]c1nc[nH]c1c(=O)n2Cc3ccccc3
CC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c2ccc(C)cc2	ZINC000000247766	O=S(=O)(Nc1ccccc1)c2ccccc2
C[C@@H]([C@@H](O)c1ccc(O)cc1)N3CCC(O)(c2ccccc2)CC3	ZINC000000005936	C2CN(CCc1ccccc1)CCC2c3ccccc3
COc1ccccc1N2CCNCC2	ZINC000000012687	C2CN(c1ccccc1)CCN2
OCCn3c(=O)c2ccc(Oc1ccc(N(=O)=O)cc1)cc2c3=O	ZINC000000059324	O=c2[nH]c(=O)c3cc(Oc1ccccc1)ccc23
CN(C(C)=O)c1ccc([N+](C)(C)C)cc1	ZINC000000281862	c1ccccc1
CC(C)=c3oc2c(ccc1cc(C)ncc12)c3=O	ZINC000000007754	C=c3oc2c(ccc1ccncc12)c3=O
CCOC(=O)Nc3cc2N[C@@H](C)C(c1ccccc1)=Nc2c(N)n3	ZINC000000004088	C2Nc1ccncc1N=C2c3ccccc3
Cc1nonc1NC(=O)Nc2cccnc2	ZINC000000039839	O=C(Nc1cccnc1)Nc2cnon2
CC(=O)Nc2n[n+]1c(C)cc(C)nc1c3ccccc23	ZINC000000041891	c1ccc2c(c1)cn[n+]3cccnc23
CCCn2c(COc1ccc(Cl)cc1Cl)nc3ccccc23	ZINC000000099619	C(Oc1ccccc1)c3nc2ccccc2[nH]3
ClC2(Cl)[C@H]1C=CC[C@H]1C2=O	ZINC000000159162	O=C2CC1C=CCC12
C2CO[C@H](CNCc1ccncc1)C2	ZINC000000266017	C2COC(CNCc1ccncc1)C2
CCC(CC)C(=O)Nc2c1C[S@](=O)Cc1nn2c3ccccc3C	ZINC000000212311	O=S3Cc2cn(c1ccccc1)nc2C3
CCn2c[n+](C[C@@H](O)COCc1ccccc1)c3ccccc23	ZINC000000089041	C(COCc1ccccc1)C[n+]2c[nH]c3ccccc23
CCn3c(=O)n(c1cccc(N(=O)=O)c1)c2ccccc2c3=O	ZINC000000001819	O=c2[nH]c(=O)c1ccccc1n2c3ccccc3
NNc1nc(N)c3c(n1)c2ccccc2CC34CCCC4	ZINC000000078979	C1CCC4(C1)Cc2ccccc2c3ncncc34
CN(C)Cc2ccc1OCOc1c2CO	ZINC000000336954	C2Oc1ccccc1O2
Nc2nc(N)nc(c1ccc(Cl)cc1)n2	ZINC000000073329	c2ccc(c1ncncn1)cc2
CCc2nnc(NCCc1ccc(C)nc1)s2	ZINC000000040769	C(Cc1cccnc1)Nc2nncs2
COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1	ZINC000000000257	c1ccccc1
CC(C)(C)NC[C@@H](O)COc1cc(Cl)ccc1C2=CC(=O)CC2	ZINC000000000255	O=C2CCC(c1ccccc1)=C2
C[N@]1CC[C@@]3(C)C[C@@H](C1)Cc2ccc(O)cc23	ZINC000000000254	C1CC2CC(CN1)Cc3ccccc23
NOCc1c(F)cccc1Cl	ZINC000000007573	c1ccccc1
CC(C)(C)C(=O)NC(=S)Nc1cccc(O)c1	ZINC000000040761	c1ccccc1
Nc4ccc(CN3CCN(c2ccc1ccccc1n2)CC3)cc4	ZINC000000110981	C3CN(c2ccc1ccccc1n2)CCN3Cc4ccccc4
COc1ccc(Br)c(OC)c1	ZINC000000056471	c1ccccc1
CCN3CCN(C(=O)c2ccc(NS(=O)(=O)c1c(C)c(C)cc(C)c1C)cc2)CC3	ZINC000000631062	O=C(N1CCNCC1)c3ccc(NS(=O)(=O)c2ccccc2)cc3
Cc3cccc(N1C(=N)NC(=N)NC12CCCCC2)c3	ZINC000000203634	N=C3NC(=N)N(c1ccccc1)C2(CCCCC2)N3
C4CN(c2ncnc3scc(c1ccccc1)c23)CCN4	ZINC000000066573	C4CN(c2ncnc3scc(c1ccccc1)c23)CCN4
CC23CNCC(c1ccccc1)(CNC2)C3=O	ZINC000000529028	O=C1C3CNCC1(c2ccccc2)CNC3
CCn1c(NC[C@@H](C)O)nc2ccccc12	ZINC000000513521	c2ccc1[nH]cnc1c2
Nc2nc1ccc(OC(F)(F)F)cc1s2	ZINC000000006481	c2ccc1scnc1c2
COc2ccc(C[N@]1CCC[C@@H](O)C1)cc2C	ZINC000000199278	C2CCN(Cc1ccccc1)CC2
Cn2oc1CCNCCc1c2=O	ZINC000000011255	O=c2[nH]oc1CCNCCc12
S=C(N1CCCC1)c2cccs2	ZINC000000034078	S=C(N1CCCC1)c2cccs2
CC1(C)OCO/C1=C\C[N+](C)(C)C	ZINC000000123406	C=C1COCO1
Fc3ccc(N2C(=O)C[C@H](NCCC1=CCCCC1)C2=O)cc3	ZINC000000093918	O=C2CC(NCCC1=CCCCC1)C(=O)N2c3ccccc3
COc2noc1CCNCCc12	ZINC000000011259	C2Cc1cnoc1CCN2
Cc3ccc(NCn2nc(c1ccc(C)cc1)oc2=S)cc3	ZINC000000067164	S=c2oc(c1ccccc1)nn2CNc3ccccc3
Fc3ccc(N2C(=O)C[C@@H](NCc1ccco1)C2=O)cc3	ZINC000000062811	O=C2CC(NCc1ccco1)C(=O)N2c3ccccc3
Cn2cnc(Cc1nc(=O)o[nH]1)c2	ZINC000000015166	O=c2nc(Cc1c[nH]cn1)[nH]o2
CCOC(=O)c2ccc(NC(=O)CSCc1ccco1)cc2	ZINC000000042769	O=C(CSCc1ccco1)Nc2ccccc2
CC(=O)C[C@@]2(O)C(=O)Nc1ccc(C)cc12	ZINC000000084481	O=C2Cc1ccccc1N2
CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl	ZINC000000066417	c1ccccc1
Clc3ccc(NC(=O)N2CCC[N@@](Cc1ccccc1)CC2)cc3	ZINC000000066413	O=C(Nc1ccccc1)N3CCCN(Cc2ccccc2)CC3
N=C1NC[C@H]3N1c2ccccc2Cc4ccccc34	ZINC000000006157	N=C1NCC3N1c2ccccc2Cc4ccccc34
CCOC(=O)c2cnc1ccc(C)cc1c2Nc3ccc(CC)cc3	ZINC000000097610	N(c1ccccc1)c2ccnc3ccccc23
C[C@@](Cc1ccccc1)(NC(=O)CN)c2ccccc2	ZINC000000228297	C(Cc1ccccc1)c2ccccc2
CSC1=NCCN1CC(=O)c2ccc(C)cc2	ZINC000000167185	O=C(CN1CCN=C1)c2ccccc2
CCN4CCN(c2ncnc3sc1CCCc1c23)CC4	ZINC000000127392	C4Cc3sc2ncnc(N1CCNCC1)c2c3C4
NC(=O)c1ccc(C(F)(F)F)o1	ZINC000000086933	c1ccoc1
C[C@@H](N)Cc1n[nH]c2ccc(Cl)cc12	ZINC000000025581	c2ccc1[nH]ncc1c2
O[C@H]1CCCC[C@H]1S(=O)(=O)Cc2ccccc2	ZINC000000074674	O=S(=O)(Cc1ccccc1)C2CCCCC2
SCc1cccs1	ZINC000000153137	c1ccsc1
Fc1ccccc1C(=O)N3CCC(N2CCCCCC2)CC3	ZINC000000207601	O=C(N2CCC(N1CCCCCC1)CC2)c3ccccc3
CCN(CC)C(=O)c1ccc[n+](CC)c1	ZINC000000286916	c1ccncc1
OCCN(CCO)Cc1csc2ccccc12	ZINC000000345337	c2ccc1sccc1c2
Cc1cc(O)cc2OC(C)(C)CC(=O)c12	ZINC000000083214	O=C1CCOc2ccccc12
O=C(N2CCN(C1CCCC1)CC2)c3ccco3	ZINC000000115855	O=C(N2CCN(C1CCCC1)CC2)c3ccco3
CC(C)(C)N1CC(O)C1	ZINC000000065001	C1CNC1
Nc3c(c1nnnn1c2ccccc2)cnc4ccccc34	ZINC000000119488	c4ccc(n1nnnc1c3cnc2ccccc2c3)cc4
CN(C)c1ccc(CO)c(F)c1C#N	ZINC000000139325	c1ccccc1
Clc2ccc(OCC(=O)N1CCOCC1)c(Cl)c2	ZINC000000028121	O=C(COc1ccccc1)N2CCOCC2
COc2cc([C@H](C)NC1CCC(O)CC1)cc(OC)c2OC	ZINC000000016140	C2CCC(NCc1ccccc1)CC2
COc2cc(CNC1CCC(O)CC1)cc(OC)c2O	ZINC000000016141	C2CCC(NCc1ccccc1)CC2
COc1cccc(OC)c1OC[C@@H](O)CN2CCCCC2	ZINC000000166973	C2CCN(CCCOc1ccccc1)CC2
S=c1[nH]cc2ccccn12	ZINC000000166974	S=c1[nH]cc2ccccn12
Clc1ccc(C#N)cc1	ZINC000000157255	c1ccccc1
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N2CCCc3ccccc23	ZINC000000157257	O=S(=O)(N1CCCc2ccccc12)c3ccoc3
C[C@H]3CN(C(=O)NC1C[C@@H]2CC[C@H](C1)[N@]2C)c4ccccc34	ZINC000000002904	O=C(NC1CC2CCC(C1)N2)N3CCc4ccccc34
C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000000057206	c1ccccc1
COc1cc(NC(=O)CCN)cc2ccccc12	ZINC000000057200	c2ccc1ccccc1c2
CC(C)NC[C@@H](O)COc2c1occc1c(O)c3c(=O)cc(C)oc23	ZINC000000000397	O=c2ccoc3cc1occc1cc23
CN(C)[C@H](CNC(=S)NC1CCCCC1)c2cccnc2	ZINC000000245176	S=C(NCCc1cccnc1)NC2CCCCC2
C1C[N+]3(CCO1)Cc2ccccc2C3	ZINC000000206959	C1C[N+]3(CCO1)Cc2ccccc2C3
C=CCN2C(=O)[C@@H]1CCCN1C2=S	ZINC000000093346	O=C2NC(=S)N1CCCC12
Cc2c(C)n(=O)c(c1ccccc1O)n2O	ZINC000000389942	O=n1cc[nH]c1c2ccccc2
Clc2ccc(Cl)c(S(=O)(=O)NN1CCOCC1)c2	ZINC000000040111	O=S(=O)(NN1CCOCC1)c2ccccc2
CN(C)C(On1ccccc1=O)=[N+](C)C	ZINC000000156072	O=c1cccc[nH]1
CN(C)c1ccc(N)cc1	ZINC000000056911	c1ccccc1
CSc2nn(c1ccccc1)c(C)[n+]2c3ccccc3	ZINC000000156078	c3ccc(n2c[n+](c1ccccc1)cn2)cc3
CN(C)c1c(F)cc(C(N)=O)cc1F	ZINC000000138741	c1ccccc1
COc3ccc(c2csc(Nc1cccc(Cl)c1C)n2)cc3	ZINC000000073666	N(c1ccccc1)c3nc(c2ccccc2)cs3
CCc1ncnc2cc(OC)c(OC)cc12	ZINC000000002014	c2ccc1ncncc1c2
O=C(NCCc1ccccc1)C3c2ccccc2Oc4ccccc34	ZINC000000067892	O=C(NCCc1ccccc1)C3c2ccccc2Oc4ccccc34
Cc2ccc(S(=O)(=O)N(CCO)c1ccccc1)cc2	ZINC000000052581	O=S(=O)(Nc1ccccc1)c2ccccc2
C[N@]3CC[C@@]15[C@H]2CCC(=O)[C@@H]1Oc4c(O)ccc(C[C@H]23)c45	ZINC000000402954	O=C1CCC2C3Cc4cccc5OC1C2(CCN3)c45
O=C1CCn2cnc4cccc3ccc1c2c34	ZINC000000041157	O=C1CCn2cnc4cccc3ccc1c2c34
COc3cccc(CN2CCC(N1CCCCCC1)CC2)c3	ZINC000000207647	C3CCCN(C2CCN(Cc1ccccc1)CC2)CC3
Cc1c[nH]c(C=O)c1C	ZINC000000076523	c1cc[nH]c1
CC(=O)c1c[nH]cc1C	ZINC000000076525	c1cc[nH]c1
CCN(CC)C(=O)N1CCN(C)CC1	ZINC000000001288	C1CNCCN1
O[C@@]12CCCC[C@@H]1CNCC2	ZINC000000103395	C2CCC1CNCCC1C2
COc2cc(OC)c(CN1CCCC1)cc2Br	ZINC000000218160	C2CCN(Cc1ccccc1)C2
COn2c(=O)c1ccccc1c2=O	ZINC000000129390	O=c1[nH]c(=O)c2ccccc12
O=C(NC(=S)Nc2ccc(CN1CCCC1)cc2)c3ccco3	ZINC000000514891	O=C(NC(=S)Nc2ccc(CN1CCCC1)cc2)c3ccco3
CCc3ccc([C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2)s3	ZINC000000043743	O=C1CCCC3=C1C(c2cccs2)C=CO3
OCc3c2C[N+]1(CCOCC1)Cc2cc4ccccc34	ZINC000000327562	C1C[N+]4(CCO1)Cc3cc2ccccc2cc3C4
CN(C)c1ccncc1C(=O)Nc2ccc(F)cc2F	ZINC000000078582	O=C(Nc1ccccc1)c2cccnc2
Clc2ccc(C1=NCCCN1)cn2	ZINC000000027341	C2CNC(c1cccnc1)=NC2
COC(=O)[C@H]1CNCC[C@H]1O	ZINC000026898694	C1CCNCC1
C2CNCC(=C/c1cccnc1)\C2	ZINC000000022192	C2CNCC(=Cc1cccnc1)C2
CC(C)(CO)CN1CCCC1	ZINC000000394083	C1CCNC1
C[N+]2(C)CCN(c1ccc(Cl)nn1)CC2	ZINC000000009087	C2CN(c1cccnn1)CCN2
C5CCN(CCn3c1ccccc1c4nc2ccccc2nc34)CC5	ZINC000000067762	C5CCN(CCn3c1ccccc1c4nc2ccccc2nc34)CC5
CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12	ZINC000000056646	c2ccc1[nH]ccc1c2
COC(=O)c1ccc([C@@H](C)N(C)C)o1	ZINC000000182990	c1ccoc1
Cc2cn(Cc1ccccn1)c(C)n2	ZINC000000008506	C(c1ccccn1)n2ccnc2
Cc2cccc(Cn1ccnc1C)n2	ZINC000000008505	C(c1ccccn1)n2ccnc2
Nc3nc2c(Cc1ccsc1)c[nH]c2c(=O)[nH]3	ZINC000000005543	O=c2[nH]cnc3c(Cc1ccsc1)c[nH]c23
CN(C)CCCn1c(=N)n(C[C@@H](O)C(C)(C)C)c2ccccc12	ZINC000000092836	N=c2[nH]c1ccccc1[nH]2
CCN(CC)CC(=O)NC2(Cc1ccc(O)cc1)CCCCC2	ZINC000000054513	C2CCC(Cc1ccccc1)CC2
Nc1ncnc2[nH]cnc12	ZINC000000000882	c2ncc1nc[nH]c1n2
CC(=O)Oc1ccccc1C(=O)O[C@H]2OC(=O)c3ccccc23	ZINC000000000735	O=C(OC1OC(=O)c2ccccc12)c3ccccc3
NC(N)=NN2Cc1c(Cl)ccc(Cl)c1C2	ZINC000000000886	C1NCc2ccccc12
Cc1cccc(C)c1OCC(=O)Nc3oc(c2ccccc2)cc3C#N	ZINC000000144021	O=C(COc1ccccc1)Nc3ccc(c2ccccc2)o3
C[N@]3CCc2cc1OCOc1c4c2[C@@H]3CC45CCC(=NO)CC5	ZINC000000343996	N=C1CCC3(CC1)CC4NCCc5cc2OCOc2c3c45
CC(C)\C=c2/[nH]c(=O)c(=C/c1ccccc1)\[nH]c2=O	ZINC000000000889	C=c2[nH]c(=O)c(=Cc1ccccc1)[nH]c2=O
CC(C)NC[C@@H](O)COc1nccs1	ZINC000000000738	c1cscn1
COc2cc1OC(C)(C)CNC(=O)c1cc2OC	ZINC000000160987	O=C1NCCOc2ccccc12
Cc1ccccc1n3c(=O)c2ccccc2c3=O	ZINC000000050522	O=c2n(c1ccccc1)c(=O)c3ccccc23
OCCN(CCO)Cc1cc(F)ccc1F	ZINC000000213230	c1ccccc1
CC(=O)NCCc2cccc3ccc1OCCCc1c23	ZINC000000020590	C3COc2ccc1ccccc1c2C3
CC(=O)NCCc2cccc3ccc1OCC=Cc1c23	ZINC000000020591	C3Oc2ccc1ccccc1c2C=C3
CN(C)CCN(Cc1ccccc1)c2ccccc2	ZINC000000001425	C(Nc1ccccc1)c2ccccc2
CCN(CC)CCN(C)Cc1ccc(N(=O)=O)cc1	ZINC000000234506	c1ccccc1
Brc3ccc2c(=O)n(CNc1ccccc1)c(=O)c2c3	ZINC000000055176	O=c2n(CNc1ccccc1)c(=O)c3ccccc23
Oc3ccc(NCn2c(=O)c1ccccc1c2=O)cc3	ZINC000000055172	O=c2n(CNc1ccccc1)c(=O)c3ccccc23
Cn3c(NCc1c[nH]c2ccccc12)nc4ccccc34	ZINC000000099267	C(Nc2nc1ccccc1[nH]2)c3c[nH]c4ccccc34
CC(=O)N1[C@@H](O)CCN1c2ccccc2	ZINC000000184661	C2CNN(c1ccccc1)C2
NCC[C@@H](Cc1ccccc1)c2ccco2	ZINC000000105977	C(Cc1ccco1)c2ccccc2
COc1ccc(C(=O)O[C@@H](C)CN(C)C)cc1	ZINC000000215699	c1ccccc1
CC(C)(O)C#C[C@@H](O)c1cccs1	ZINC000000077094	c1ccsc1
C[N@@](CCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)Cc2ccccc2	ZINC000000429528	O=C(NCCNCc1ccccc1)c2ccc[nH]2
CCNC(=O)C[C@H]2N(NC(=O)c1ccccc1)C(=S)N(CC)C2=O	ZINC000000207383	O=C2CN(NC(=O)c1ccccc1)C(=S)N2
COc3ccc(OCC1=NCCc2ccccc12)cc3	ZINC000000001674	C3Cc1ccccc1C(COc2ccccc2)=N3
C[C@@]12CCC(=O)C=C1CCC2=O	ZINC000000162728	O=C2CCC1C(=O)CCC1=C2
NC(=S)NC1CCCC1	ZINC000000162729	C1CCCC1
NC(=S)C(=C\C=C\c1ccccc1)\C#N	ZINC000000040571	c1ccccc1
C[N+](C)(C)CCO[C@H](Cc1ccccc1)c2ccccc2	ZINC000000000085	C(Cc1ccccc1)c2ccccc2
CC(C)NC(=O)c2ccc(N1CCN(C(C)C)CC1)nc2	ZINC000000480516	C2CN(c1ccccn1)CCN2
COC[C@@H](C)NCc1ccccc1F	ZINC000000183717	c1ccccc1
Cc2cccc(NC(=O)c1ccccc1I)c2	ZINC000000034198	O=C(Nc1ccccc1)c2ccccc2
Cc1ccc(C(N)=N)cc1	ZINC000000166777	c1ccccc1
COC[C@H](C)N[C@@H]1CCCC[C@H]1OC	ZINC000000183529	C1CCCCC1
COc3ccc([C@@H]2OC[C@@H](CN1CCCCC1)O2)cc3	ZINC000000187157	C3CCN(CC2COC(c1ccccc1)O2)CC3
CCOC(=O)C[n+]2c(c1ccc(C)cc1)n(C)c3ccccc23	ZINC000000388791	c3ccc(c2nc1ccccc1[nH]2)cc3
CSc1n[nH]c(C(C)(C)C)n1	ZINC000000115119	c1nc[nH]n1
COc3ccc(C(=O)c2cccc(C(=O)c1ccc(OC)cc1)c2)cc3	ZINC000000062606	O=C(c1ccccc1)c3cccc(C(=O)c2ccccc2)c3
CCOC(=O)c2cnc1c(CC)cccc1c2N3CCN(C)CC3	ZINC000000131539	C3CN(c1ccnc2ccccc12)CCN3
CC(C)c2cc(C(C)C)c(S(=O)(=O)n1ccnc1C)c(C(C)C)c2	ZINC000000062603	O=S(=O)(c1ccccc1)n2ccnc2
N[C@H]1[C@@H](O)Cc2ccccc12	ZINC000000154815	C2Cc1ccccc1C2
CN3CCC(CNC(=O)Nc1csc2ccccc12)CC3	ZINC000000159390	O=C(NCC1CCNCC1)Nc2csc3ccccc23
Cc1cc(C)n(C(C)(C)C)n1	ZINC000000159396	c1cn[nH]c1
Nc1ccc(O)c(O)c1	ZINC000000006364	c1ccccc1
CC4(C)CC(Nc2ncnc3sc1CCCCc1c23)CC(C)(C)N4	ZINC000000148070	C1CCc3c(C1)sc4ncnc(NC2CCNCC2)c34
CCCC1=[N+](C)CCn2cccc12	ZINC000000249629	C2Cn1cccc1C=N2
CO[C@H]1CNCC[C@H]1NC(=O)c2cc(Cl)c(N)cc2OC	ZINC000000404160	O=C(NC1CCNCC1)c2ccccc2
Nc1nonc1c3nc2ccccc2n3Cc4ccc(Cl)cc4	ZINC000000048968	C(c1ccccc1)n3c(c2cnon2)nc4ccccc34
C3COc2cnc1ccccc1c2N3	ZINC000000002542	C3COc2cnc1ccccc1c2N3
O[C@H]1COC[C@@H]1N2CCCNCC2	ZINC000029866022	C2CNCCN(C1CCOC1)C2
CCOC(=O)c1c(CN(C)C)oc2ccc(O)cc12	ZINC000000067908	c2ccc1occc1c2
FC(F)(F)c2cccc(NS(=O)(=O)c1ccc(N(=O)=O)cc1)c2	ZINC000000168327	O=S(=O)(Nc1ccccc1)c2ccccc2
Cc1cc(Cl)ccc1n2nnnc2c3ccc(Br)cc3	ZINC000000245990	c3ccc(c1nnnn1c2ccccc2)cc3
COc2nnc(c1ccccc1C)o2	ZINC000000039026	c2ccc(c1nnco1)cc2
Nc1cccc(Cl)c1C#N	ZINC000000153097	c1ccccc1
O=c2oc1ncccc1n2CCN3CCCC3	ZINC000000016339	O=c2oc1ncccc1n2CCN3CCCC3
COc1cc(C=O)ccc1OC2=NS(=O)(=O)c3ccccc23	ZINC000000041717	O=S3(=O)N=C(Oc1ccccc1)c2ccccc23
COc2ccc([C@@H](N)Cc1ccccc1)cc2OC	ZINC000000173910	C(Cc1ccccc1)c2ccccc2
N[C@@H](CCc1ccc(F)cc1)c3ccc2OCCOc2c3	ZINC000000173917	C(Cc1ccccc1)Cc3ccc2OCCOc2c3
C[C@@H](CN(C)C)OC(=O)c2ccc1OCOc1c2	ZINC000000206169	C2Oc1ccccc1O2
O=C(C2c1ccccc1Oc3ccccc23)N(CC#N)CC#N	ZINC000000030232	C2c1ccccc1Oc3ccccc23
NCCc1cc(O)c(O)c(O)c1	ZINC000000119563	c1ccccc1
Clc2ccc(n1cnnn1)cc2	ZINC000000114300	c2ccc(n1cnnn1)cc2
O=C(c1ccccc1)n2c(=S)nc3ncccn23	ZINC000000032902	O=C(c1ccccc1)n2c(=S)nc3ncccn23
CC(=O)Nc1ccc(N)cc1C	ZINC000000152947	c1ccccc1
CC1(C)COC(N)=N1	ZINC000000002247	C1CN=CO1
NCc2ccc(c1csnn1)cc2	ZINC000000158841	c2ccc(c1csnn1)cc2
CN(C)CCOc3ccc(CN2CC[C@@H](N1CCC(O)CC1)[C@H](O)C2)cc3	ZINC000012199342	C3CCN(C2CCN(Cc1ccccc1)CC2)CC3
COc4ccc(c2nc1ccc(C)cn1c2NC3CCCCC3)cc4	ZINC000000320043	C4CCC(Nc2c(c1ccccc1)nc3ccccn23)CC4
C[C@H](CC(=O)Nc1cc(C)ccc1C)[C@@H]2COCCO2	ZINC000000035489	O=C(CCC1COCCO1)Nc2ccccc2
O[C@H]2CN(C1CCNCC1)C(=O)C2	ZINC000016698014	O=C1CCCN1C2CCNCC2
OCc1c[nH]c2ccc(N(=O)=O)cc12	ZINC000000024109	c2ccc1[nH]ccc1c2
S=C(NC1CCCCC1)N2CCCCC2	ZINC000000073055	S=C(NC1CCCCC1)N2CCCCC2
Cc3cccn4c(NC(=O)c1ccc(F)cc1)c(c2ccccc2)nc34	ZINC000000064520	O=C(Nc2c(c1ccccc1)nc3ccccn23)c4ccccc4
CN(C)CCn3c(C)cc(=c2c(=O)c1ccccc1c2=O)cc3C	ZINC000000073584	O=c2c(=c1cc[nH]cc1)c(=O)c3ccccc23
COc2cccc(NC(=O)c1cc[n+](C)cc1)c2	ZINC000000364617	O=C(Nc1ccccc1)c2ccncc2
CCN(CC)C(=N)N1[C@@H](C)CCc2ccccc12	ZINC000000109131	C2CNc1ccccc1C2
Cc1cc(O)ccc1Br	ZINC000000120494	c1ccccc1
Cc2ccc(NC(=O)[C@H]1CC1(C)C)cc2	ZINC000000003263	O=C(Nc1ccccc1)C2CC2
NC(=O)CC[n+]1ccccc1	ZINC000000393591	c1ccncc1
NC(=N)NC(=N)Nc2ccc1ccccc1c2	ZINC000000470739	c2ccc1ccccc1c2
O=C(Nc1ccccn1)c3ccc(S(=O)(=O)c2ccccc2)cc3	ZINC000000049954	O=C(Nc1ccccn1)c3ccc(S(=O)(=O)c2ccccc2)cc3
O=C(N1CCOC12CCCCC2)c3ccc(N(=O)=O)cc3	ZINC000000042067	O=C(N1CCOC12CCCCC2)c3ccccc3
O=N(=O)N(CCc1ccncc1)c3ccc(OCc2ccccc2)cc3	ZINC000000033504	C(Cc1ccncc1)Nc3ccc(OCc2ccccc2)cc3
O=C(CSc1ncnc2[nH]cnc12)NC[C@@H]3CCCO3	ZINC000000033507	O=C(CSc1ncnc2[nH]cnc12)NCC3CCCO3
O=c2oc1cccnc1n2CCN3CCCCC3	ZINC000000015441	O=c2oc1cccnc1n2CCN3CCCCC3
C[C@H]1CC(C)=C[C@@H](C)[C@@H]1CN=NC(N)=N	ZINC000000519888	C1CCC=CC1
O=C1[C@H]3CC2C[C@@H]1C[N@](C2)C3	ZINC000000332488	O=C1C3CC2CC1CN(C2)C3
CC(=O)Oc1ccc(F)cc1F	ZINC000000152763	c1ccccc1
NCc1csc2ccccc12	ZINC000000158714	c2ccc1sccc1c2
C1CN4CCC1C(c3cc2ccccc2s3)=C4	ZINC000000017171	C1CN4CCC1C(c3cc2ccccc2s3)=C4
C[N@@](CCNC(=O)c1ccccc1Br)Cc2ccccc2	ZINC000000572838	O=C(NCCNCc1ccccc1)c2ccccc2
Cc2ccc(NC(=O)CS(=O)(=O)c1ccccc1)cc2	ZINC000000046528	O=C(CS(=O)(=O)c1ccccc1)Nc2ccccc2
CCOC(=O)NC(=O)c1cn(CCN(C)C)c(=O)[nH]c1=O	ZINC000000481078	O=c1cc[nH]c(=O)[nH]1
CC(C)N(C[C@@H](O)CO)C(C)C	ZINC000000409167	nonring
CC[C@@H](C(=O)Nc2ccc1OCOc1c2)c3ccccc3	ZINC000000046830	O=C(Cc1ccccc1)Nc3ccc2OCOc2c3
CN[C@@H](C)c2nc1cc(Cl)ccc1c(=O)n2C	ZINC000000250230	O=c1[nH]cnc2ccccc12
O=C(NCc2ccc1OCOc1c2)c3ccccc3N4CCOCC4	ZINC000000105702	O=C(NCc2ccc1OCOc1c2)c3ccccc3N4CCOCC4
C[C@@H](O)CCN2CCC(Cc1ccccc1)CC2	ZINC000000022508	C2CC(Cc1ccccc1)CCN2
Cc2oc1CCCCc1c2C(N)=O	ZINC000000034990	C2CCc1occc1C2
CCC(=O)N[C@@H]1C[C@@H](C(C)(C)NC(=O)CC)CC=C1C	ZINC000000027753	C1CCC=CC1
O=N(=O)N=C3NCN(C2CCN(Cc1ccccc1)CC2)CN3	ZINC000000085820	N=C3NCN(C2CCN(Cc1ccccc1)CC2)CN3
C[C@@H]1NCC[C@@H]1C(=O)N3CCN2[C@H](CNC2=O)C3	ZINC000092957571	O=C3NCC2CN(C(=O)C1CCNC1)CCN23
NC(=O)CC23CC1CC(CC(C1)C2)C3	ZINC000000085533	C1C2CC3CC1CC(C2)C3
CCOC(=O)c1nsc(Cl)c1Cl	ZINC000000027756	c1cnsc1
Cc1cccc(S(N)(=O)=O)c1	ZINC000000151233	c1ccccc1
COc2ccc(c1nc(N)nc(N)n1)cc2OC	ZINC000000011431	c2ccc(c1ncncn1)cc2
Cc2nn(c1cccc[n+]1C)c3ncccc23	ZINC000000151235	c3ccc(n1ncc2cccnc12)nc3
Fc1ccc(N(=O)=O)c(F)c1	ZINC000000164453	c1ccccc1
CN(C)C[C@H]1CCc3c(C1=O)c2ccccc2n3C	ZINC000000164458	O=C2CCCc3[nH]c1ccccc1c23
CC(=O)C2=C(O)C(=O)N(C[C@@H]1CCCO1)[C@@H]2c3ccccc3N(=O)=O	ZINC000000237424	O=C2C=CC(c1ccccc1)N2CC3CCCO3
Clc3ccc(OCC(=O)N2CCN(C(=O)c1ccco1)CC2)cc3	ZINC000000115688	O=C(COc1ccccc1)N3CCN(C(=O)c2ccco2)CC3
CCOC(=O)[C@@H]2CS[C@@H](CC(=O)Nc1ccccc1)C(=O)N2	ZINC000000079631	O=C(CC1SCCNC1=O)Nc2ccccc2
Clc3ccc(N2CCN(C/C=C/c1ccccc1)CC2)nn3	ZINC000000001634	C2CN(c1cccnn1)CCN2CC=Cc3ccccc3
C[C@H]([C@H](O)c1ccc(O)cc1)N3CCC(Cc2ccccc2)CC3	ZINC000000014551	C2CN(CCc1ccccc1)CCC2Cc3ccccc3
Cc4ccc(c2c[n+]1ccccc1n2c3ccc(Br)cc3)cc4	ZINC000000624170	c4ccc(c2c[n+]1ccccc1n2c3ccccc3)cc4
CC(C)NC[C@H](O)COc1cc(C)c(OC(C)=O)c(C)c1C	ZINC000000389149	c1ccccc1
CC(C)(\C=N\O)[N+](=O)Cc1ccccn1	ZINC000000337820	c1ccncc1
CCOC(=O)c2cnc1ccccc1c2NCCN3CCOCC3	ZINC000000037971	C(CN1CCOCC1)Nc2ccnc3ccccc23
CC(C)n3c(=O)n(C(=O)NC1C[C@@H]2CC[C@H](C1)[N@]2C)c4ccccc34	ZINC000000014556	O=C(NC1CC2CCC(C1)N2)n3c(=O)[nH]c4ccccc34
CC2(C)N(O)CC(c1cccs1)[N+]2=O	ZINC000000438673	O=[N+]1CNCC1c2cccs2
CN(C)CCNC(=O)c1c[nH]c2ccccc12	ZINC000000309293	c2ccc1[nH]ccc1c2
CN(Cc1ccccc1)S(C)(=O)=O	ZINC000000029623	c1ccccc1
CCOC(=O)C1CCN(S(C)(=O)=O)CC1	ZINC000000029622	C1CCNCC1
COC3CCN(C[C@H]2CCN(c1ccc(Cl)cc1)C2=O)CC3	ZINC000000020541	O=C2C(CN1CCCCC1)CCN2c3ccccc3
C/C(CCc2oc1ccccc1c2c3ccc(C)o3)=N\NC(N)=S	ZINC000000089029	c3ccc2c(c1ccco1)coc2c3
COC(=O)[C@@H]1CCNCCN1	ZINC000021983208	C1CNCCNC1
Cc2cc(NN)nc(N1CCOCC1)n2	ZINC000000520034	C2CN(c1ncccn1)CCO2
CCc3cc2c(Nc1ccncc1)ncnc2s3	ZINC000000126393	N(c1ccncc1)c2ncnc3sccc23
Cc1ccc(OC[C@H](O)CNC(C)(C)C)c2oc(=O)ccc12	ZINC000000000100	O=c2ccc1ccccc1o2
Cc2cc(=O)oc3c(CN1CCCC1)c(O)ccc23	ZINC000000140916	O=c3ccc2cccc(CN1CCCC1)c2o3
CN2CCN(NC(=O)COc1ccccc1C)CC2	ZINC000000467699	O=C(COc1ccccc1)NN2CCNCC2
Cc1ccc(Cl)c(OC[C@@H](O)CNC(C)(C)C)c1	ZINC000000000106	c1ccccc1
CC(C)(C)c3ccc(C(=O)N2CCN(c1ccccn1)CC2)cc3	ZINC000000093939	O=C(N2CCN(c1ccccn1)CC2)c3ccccc3
C\C(=N/N2CCN(c1ccccn1)CC2)c3cccs3	ZINC000000028573	C2CN(c1ccccn1)CCN2N=Cc3cccs3
Clc1nc[nH]c1Cl	ZINC000001728337	c1c[nH]cn1
CN(C)Cc1cn3CCN(C)c2ncnc1c23	ZINC000000331374	C1Cn2ccc3ncnc(N1)c23
CCOC(=O)c1cc(CC)sc1NC(=O)CCN2CCCCC2	ZINC000000213068	O=C(CCN1CCCCC1)Nc2cccs2
C[C@@H](CN(C)C)Nc1ccnc2cc(Cl)ccc12	ZINC000000020013	c2ccc1ncccc1c2
CC[C@@H](C)c2ccc(OCC(=O)Nc1sc(C)c(C)c1C#N)cc2	ZINC000000611249	O=C(COc1ccccc1)Nc2cccs2
O[C@]3(Cc1ccncc1)C(=O)Nc2ccc(F)cc23	ZINC000000081490	O=C2Nc1ccccc1C2Cc3ccncc3
Cc3nn(C[C@@H](O)COc2ccc1ccccc1c2)c(C)c3Cl	ZINC000000081942	C(COc2ccc1ccccc1c2)Cn3cccn3
COCCN3CCC[C@@]2(CC[N@](C1CCOCC1)C2)C3	ZINC000012438744	C1CNCC3(C1)CCN(C2CCOCC2)C3
CN(C)CCNC(=O)Cn2nc(c1ccc(C)cc1)ccc2=O	ZINC000000220025	O=c2ccc(c1ccccc1)n[nH]2
CN(C)CCOC(=O)C2(c1ccccc1)CCCC2	ZINC000000168965	C2CCC(c1ccccc1)C2
CCOC(=O)c1cc[n+](C)cc1	ZINC000000401407	c1ccncc1
CCOC(=O)c1cccc[n+]1C	ZINC000000401406	c1ccncc1
CN(C)S(=O)(=O)c1ccccc1C#N	ZINC000000074618	c1ccccc1
CC2(C)C(c1ccco1)[N+](=O)C(C)(C)N2O	ZINC000000201480	O=[N+]1CNCC1c2ccco2
C[C@@H](N)[C@@H]2COc1ccccc1O2	ZINC000000197693	C2COc1ccccc1O2
Cc2ccc(OC[C@H](O)c1cccnc1)c(C)c2	ZINC000000024864	C(Cc1cccnc1)Oc2ccccc2
CC2(C)Nc1cc(=C(C#N)C#N)ccc1=N2	ZINC000000500961	C=c2ccc1=NCNc1c2
Fc3cccc(C(=O)O[C@@H]1CN2CCC1CC2)c3	ZINC000000187968	O=C(OC1CN2CCC1CC2)c3ccccc3
Fc1ccccc1CNCc3ccc2OCOc2c3	ZINC000000172166	C3Oc2ccc(CNCc1ccccc1)cc2O3
Nc1ccncc1C(=O)C2CCCCC2	ZINC000000014636	O=C(C1CCCCC1)c2cccnc2
Cc3cc(C)c(C(=O)Cn1c(=S)[nH]c2ccccc12)c(C)c3	ZINC000000045461	O=C(Cn1c(=S)[nH]c2ccccc12)c3ccccc3
COC(=O)c1c(O)ccc(Cl)c1O	ZINC000000162142	c1ccccc1
FC(F)(F)c2cccc(NC(=O)CNCc1ccco1)c2	ZINC000000118220	O=C(CNCc1ccco1)Nc2ccccc2
Oc3ccc(Nc2c(Cl)c(=O)c1ccncc1c2=O)cc3	ZINC000000023594	O=c2cc(Nc1ccccc1)c(=O)c3cnccc23
Cn2c(CN1CCCCC1)c(C#N)c3ccccc23	ZINC000000049567	C3CCN(Cc2cc1ccccc1[nH]2)CC3
C[N+](=O)Cc1ccc[nH]1	ZINC000000337385	c1cc[nH]c1
O=c2n(c1ccc(C#N)c(C#N)c1)cnc3ccccc23	ZINC000000049560	O=c2n(c1ccccc1)cnc3ccccc23
COc4cccc(C(=O)Nc3c1CCCCc1nc2CCCc23)c4	ZINC000000198614	O=C(Nc3c1CCCCc1nc2CCCc23)c4ccccc4
CCOC(=O)c1c(N)sc2c1CC(C)(C)NC2(C)C	ZINC000000060293	C2Cc1ccsc1CN2
COc3ccc(CN2CCN(c1ccccc1F)CC2)cc3	ZINC000000236634	C2CN(c1ccccc1)CCN2Cc3ccccc3
Cc1ccccc1N3CCN(C(=O)c2ccccc2O)CC3	ZINC000000034441	O=C(N2CCN(c1ccccc1)CC2)c3ccccc3
COC(=O)c2cnn(c1ccccc1)c2\C=N\OC(=O)c3ccccc3	ZINC000000124131	O=C(ON=Cc1ccnn1c2ccccc2)c3ccccc3
Clc1cccc2ncccc12	ZINC000000035015	c2ccc1ncccc1c2
Clc1ccccc1C#N	ZINC000000157274	c1ccccc1
CN(C)CC[C@H]2CN(C)C(=O)c1cccnc1C2	ZINC000000002656	O=C1NCCCc2ncccc12
C[N+]12CCCC[C@@H]1[C@H](CO)CCC2	ZINC000000174830	C2CCN1CCCCC1C2
COc3ccc2[nH]c1c(=O)n(CCN(C)C)cnc1c2c3	ZINC000000525513	O=c2[nH]cnc3c1ccccc1[nH]c23
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)Nc2ccccc2	ZINC000000041502	O=C(Nc1ccccc1)N2CCSC2
O=c1cccc2[nH]cccc12	ZINC000000336735	O=c1cccc2[nH]cccc12
O=N(=O)c2cccc3nc(C[n+]1ccccc1)[nH]c23	ZINC000000384348	C(c2nc1ccccc1[nH]2)[n+]3ccccc3
CCC(O)(CC)C#CCN1CCCC1	ZINC000000068193	C1CCNC1
N[C@@H]1C(=O)NCC12CCOCC2	ZINC000584879914	O=C2CC1(CCOCC1)CN2
Cc1ccnc2ccc(Br)c[n+]12	ZINC000000285915	c2cc[n+]1cccnc1c2
S=c1[nH]ccn1Cc2ccoc2	ZINC000000003921	S=c1[nH]ccn1Cc2ccoc2
CCOC(=O)c1ccccc1OC(N)=O	ZINC000000003929	c1ccccc1
NCCC(=O)c1ccccc1N	ZINC000000403004	c1ccccc1
CCOC(=O)c1c(C)c(C(C)=O)sc1N	ZINC000000047824	c1ccsc1
O=C2CCC1CCC(=O)N12	ZINC000000002037	O=C2CCC1CCC(=O)N12
O[C@@]13NC(=S)N[C@]1(O)c2ccccc2C3=O	ZINC000000047822	O=C2C1NC(=S)NC1c3ccccc23
NCC(=O)Nc2ccc1ccccc1c2	ZINC000000399545	c2ccc1ccccc1c2
OC2CCN(Cc1ccsc1)CC2	ZINC000000200753	C2CCN(Cc1ccsc1)CC2
Cn1nnnc1SC(c2ccccc2)c3ccccc3	ZINC000000036163	S(C(c1ccccc1)c2ccccc2)c3nnn[nH]3
CN(N)c1cc(C(F)(F)F)ccn1	ZINC000000165258	c1ccncc1
Cn1nc(C(C)(C)C)cc1C(=O)NCc2cc(F)cc3COCOc23	ZINC000000147925	O=C(NCc1cccc2COCOc12)c3ccn[nH]3
CC(=O)CSc2nc(c1cccs1)cc(C(F)(F)F)c2C#N	ZINC000000069826	c2ccc(c1cccs1)nc2
Cn1cnc2sncc(=O)c12	ZINC000000005385	O=c1cnsc2nc[nH]c12
CCOC(=O)C(/C(C)=O)=C1\SC[C@@H](C)S1	ZINC000000046999	C=C1SCCS1
N#Cc1cccc2cnccc12	ZINC000000054756	c2ccc1cnccc1c2
FC(F)(F)c2cnc(C[n+]1ccccc1)c(Cl)c2	ZINC000000160166	C(c1ccccn1)[n+]2ccccc2
CCOC(=O)Cc2c([n+]1ccccc1)[nH]c3ccccc23	ZINC000000259445	c3cc[n+](c2cc1ccccc1[nH]2)cc3
O=S(=O)(NCCc1ccccc1)c2cccc3nsnc23	ZINC000000085494	O=S(=O)(NCCc1ccccc1)c2cccc3nsnc23
Brc1c[nH]c(=O)[nH]c1=O	ZINC000000967318	O=c1cc[nH]c(=O)[nH]1
O=C(COc1ccc(N(=O)=O)cc1)NCc2ccco2	ZINC000000063719	O=C(COc1ccccc1)NCc2ccco2
C[C@H](SC(=O)c1cccs1)C(=O)N[C@H]2CCSC2=O	ZINC000000004382	O=C(CSC(=O)c1cccs1)NC2CCSC2=O
CN(c1cccc(C)c1)c2ncnc3n[nH]cc23	ZINC000000021995	N(c1ccccc1)c2ncnc3n[nH]cc23
CC(=O)NC1Cc2cccc3cccc(C1)c23	ZINC000000021623	C1Cc2cccc3cccc(C1)c23
Nc2nnc(CCN1CCCCC1)s2	ZINC000000098442	C2CCN(CCc1nncs1)CC2
CNC3=NC(=O)[C@]2(CC(C)(C)Oc1ccc(F)cc12)N3	ZINC000000008526	O=C1N=CNC13CCOc2ccccc23
Nc2ccc1SCC(=O)Nc1c2	ZINC000000054573	O=C2CSc1ccccc1N2
CC(=O)N3C[C@H]1N(CCc2ccccc12)[C@H]3c4ccccc4	ZINC000000029001	C3NC(c1ccccc1)N4CCc2ccccc2C34
C[C@@H](NC(=O)c1nc[nH]n1)c3ccc(c2ccccc2)cc3	ZINC000000054571	O=C(NCc2ccc(c1ccccc1)cc2)c3nc[nH]n3
CC(=O)Nc2ccc1c(=O)n(C)c(=O)c1c2	ZINC000000135562	O=c1[nH]c(=O)c2ccccc12
CCOC(=O)c2csc(COc1cc(Cl)cc(Cl)c1)n2	ZINC000000120726	C(Oc1ccccc1)c2nccs2
Clc3ccc2O[C@@H]1CCON1C(=O)c2c3	ZINC000000000710	O=C2N1OCCC1Oc3ccccc23
C[C@@H](O)Cn1c(C)ncc1N(=O)=O	ZINC000000000711	c1c[nH]cn1
O=C(N1CCOCC1)c3cc2ccccc2oc3=O	ZINC000000050443	O=C(N1CCOCC1)c3cc2ccccc2oc3=O
Cc2cc(/C=C/c1ccc(F)cc1)cc(C)c2O	ZINC000000010998	C(=Cc1ccccc1)c2ccccc2
CC(=O)c4ccc(NC(=O)O[C@H]2CCN3Cc1ccccc1N=C23)cc4	ZINC000000485580	O=C(Nc1ccccc1)OC3CCN4Cc2ccccc2N=C34
CSc2nn(c1ccccc1)c[n+]2c3ccccc3	ZINC000000173024	c3ccc(n2c[n+](c1ccccc1)cn2)cc3
COc1ccc([C@@H](N)CC(O)=O)cc1	ZINC000000050501	c1ccccc1
O=S(=O)(Nc1ccccn1)c2ccccc2	ZINC000000050504	O=S(=O)(Nc1ccccn1)c2ccccc2
COc2cc(CNc1ccc(Cl)cc1)ccc2OCC(=O)NC3CCCCC3	ZINC000000623864	O=C(COc2ccc(CNc1ccccc1)cc2)NC3CCCCC3
Nc2ccc1c(C(F)(F)F)cc(=O)oc1c2	ZINC000000056592	O=c2ccc1ccccc1o2
Nc1cc[n+](C[C@@H](O)CO)cc1	ZINC000000287324	c1ccncc1
CN(C)C(=S)NCc1cccs1	ZINC000000099793	c1ccsc1
O[C@@H](Cn2c1=NCCn1c3ccccc23)c5ccc4OCOc4c5	ZINC000000548452	C5Oc4ccc(CCn2c1=NCCn1c3ccccc23)cc4O5
Nc3nc(OCc1ccccc1)c2[nH]c(N)nc2n3	ZINC000000021194	C(Oc1ncnc2nc[nH]c12)c3ccccc3
CCc1ccccc1NC(=O)COc2ccc(Br)cc2	ZINC000000037567	O=C(COc1ccccc1)Nc2ccccc2
Cc2ccc(OCC(=O)N1CCOCC1)cc2	ZINC000000037565	O=C(COc1ccccc1)N2CCOCC2
C[C@@H]2O[C@@](O)(c1ccc(N(=O)=O)cc1)CC[N+]23CCCCC3	ZINC000000162705	C1CC[N+]3(CC1)CCC(c2ccccc2)OC3
CC(=O)c1cc(C(C)=O)c(C)[n+](C)c1C	ZINC000000501268	c1ccncc1
C[C@@H]2O[C@@](O)(c1ccc(Cl)cc1)C[N+]23CCCCC3	ZINC000000162700	C1CC[N+]3(CC1)COC(c2ccccc2)C3
Brc1ccc(C=O)o1	ZINC000000155120	c1ccoc1
Fc1ccccc1N2CCNCC2	ZINC000000155125	C2CN(c1ccccc1)CCN2
N[n+]2cc1ccccc1cc2C#N	ZINC000000162440	c2ccc1cnccc1c2
COc2ccc1c(CCN)c[nH]c1c2	ZINC000000077360	c2ccc1[nH]ccc1c2
O=C(C2=NCC(c1ccccc1)=N2)c3cccc(N(=O)=O)c3	ZINC000000031927	O=C(C2=NCC(c1ccccc1)=N2)c3ccccc3
FC(F)(F)c2cccc(n1n[o+]c(=O)[nH]1)c2	ZINC000000062592	O=c2[nH]n(c1ccccc1)n[o+]2
COc2ccc(CNC(=O)[C@@H]1CCCN1)cc2OC	ZINC000000251665	O=C(NCc1ccccc1)C2CCCN2
Cc3ccnc(NC(=O)c2ccc(COc1ccc(Cl)cc1)o2)c3	ZINC000000133531	O=C(Nc1ccccn1)c3ccc(COc2ccccc2)o3
CN2CCN(\C=N\c1ncc(C(F)(F)F)cc1Cl)CC2	ZINC000000133240	C2CN(C=Nc1ccccn1)CCN2
Cc3ccc([C@@]1(O)CN2CCC1CC2)c(C)c3	ZINC000000092963	C1CN3CCC1C(c2ccccc2)C3
CN(C)CCNC(=O)Cn2c(=S)[nH]c1ccccc1c2=O	ZINC000000425335	O=c1[nH]c(=S)[nH]c2ccccc12
Cc1cc(=O)oc(C)c1C(=O)NCCN2CCCCC2	ZINC000000521510	O=C(NCCN1CCCCC1)c2ccc(=O)oc2
CCOC(=O)C2CCN(c1ccc(N)cc1)CC2	ZINC000000169809	C2CCN(c1ccccc1)CC2
C[C@@H](CN(C)C)Sc1nc(C)cc(C)n1	ZINC000000141431	c1cncnc1
CC2(C)CC(NC(=S)Nc1ccccc1)CC(C)(C)N2	ZINC000000173688	S=C(NC1CCNCC1)Nc2ccccc2
CS(=O)(=O)c2ccc1NCCc1c2	ZINC000000154298	C2Cc1ccccc1N2
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccnc2	ZINC000000001796	O=C(COc1ccccc1)OCc2cccnc2
COc2cccc(C(=O)N1CCOCC1)c2	ZINC000000030034	O=C(N1CCOCC1)c2ccccc2
CCNC(=O)c2ccc(c1ccccc1)cc2	ZINC000000030037	c2ccc(c1ccccc1)cc2
COC(=O)c1ccccc1NC(=O)c2cccs2	ZINC000000047228	O=C(Nc1ccccc1)c2cccs2
NC2=NC[C@@H]1CCCC[C@@H]1S2	ZINC000000006839	C2CCC1SC=NCC1C2
Cc2nc1nc(=S)[nH]n1c(C)c2C	ZINC000000051677	S=c2nc1ncccn1[nH]2
Nc1ccc(Br)cc1F	ZINC000000152960	c1ccccc1
Cc1ccc(N)c(N)c1C	ZINC000000152967	c1ccccc1
CCN3CCN(c2ccc(NC(=O)\C=C\c1ccccc1)cc2)CC3	ZINC000000027929	O=C(Nc2ccc(N1CCNCC1)cc2)C=Cc3ccccc3
Cc3ccc2OCc1ccccc1C(=O)c2c3	ZINC000000041775	O=C2c1ccccc1COc3ccccc23
CNC(=O)c1ccccc1C	ZINC000000336928	c1ccccc1
CNC(=O)c1ccccc1	ZINC000000336927	c1ccccc1
C[N@@](CCCn2c(=S)[nH]c1ncccc1c2=O)Cc3ccccc3	ZINC000000424570	O=c2n(CCCNCc1ccccc1)c(=S)[nH]c3ncccc23
O=C(NC1CCCCCC1)N2CCOCC2	ZINC000000030259	O=C(NC1CCCCCC1)N2CCOCC2
C[C@@H]2C[C@@H](C)CN(C(=O)N1CCOCC1)C2	ZINC000000030256	O=C(N1CCCCC1)N2CCOCC2
Cc1cc(C)[n+](C)c(C)c1N(=O)=O	ZINC000000515246	c1ccncc1
Nc2c(C#N)c1CCCCc1c(=O)n2c3ccccc3	ZINC000000119090	O=c2c1CCCCc1ccn2c3ccccc3
Cc3cc(C)[n+]2nc(c1ccccc1)oc2n3	ZINC000000283519	c3ccc(c2n[n+]1cccnc1o2)cc3
COc2cc(C(=O)NC1CCN(C)CC1)nc3ccccc23	ZINC000000108644	O=C(NC1CCNCC1)c3ccc2ccccc2n3
CN(C)S(=O)(=O)c2cccc(CN1CCC(CN)CC1)c2	ZINC000044514130	C2CCN(Cc1ccccc1)CC2
COc4ccc(N2C[C@@](O)(Cc1ccc(C)cc1)[n+]3ccccc23)cc4	ZINC000000389464	C3C(Cc1ccccc1)[n+]2ccccc2N3c4ccccc4
Cn1c(CCN)nc2ccccc12	ZINC000000233869	c2ccc1[nH]cnc1c2
Oc4ccc(c2cn1CCCc1[n+]2c3ccc(O)cc3)cc4	ZINC000000389468	C1Cc3n(C1)cc(c2ccccc2)[n+]3c4ccccc4
Cc1ccccc1NS(=O)(=O)c2ccc(F)cc2	ZINC000000029198	O=S(=O)(Nc1ccccc1)c2ccccc2
CC[n+]3cc(c1ccccc1)nc(N2CCOCC2)n3	ZINC000000061025	C3CN(c2nncc(c1ccccc1)n2)CCO3
C[n+]3cccc([C@H]1C(C#N)=C(N)Oc2cc(O)ccc12)c3	ZINC000000500498	O2C=CC(c1cccnc1)c3ccccc23
NC(=O)c2csc(c1ccc(F)cc1F)n2	ZINC000000121385	c2ccc(c1nccs1)cc2
CN3CCN(Cc2ccc1[nH]cc(CCN)c1c2)S3(=O)=O	ZINC000000016311	O=S1(=O)NCCN1Cc3ccc2[nH]ccc2c3
COC[C@@H](C)NCc1cc(OC)cc(OC)c1	ZINC000000263815	c1ccccc1
CCN(C(=O)c1ccco1)c2ccccc2C	ZINC000000029999	O=C(Nc1ccccc1)c2ccco2
C[C@@H]2C[C@@H](C)CN(C(=O)c1ccco1)C2	ZINC000000029995	O=C(N1CCCCC1)c2ccco2
C[n+]1ccccc1I	ZINC000000556237	c1ccncc1
CCOC(=O)C[C@@H](N)c1cccc(O)c1	ZINC000000053414	c1ccccc1
Cc4ccc([C@@]2(O)CN1CCCSC1=[N+]2Cc3ccccc3)cc4	ZINC000000239738	C4CSC3=[N+](Cc1ccccc1)C(c2ccccc2)CN3C4
CCc2ccc(n1[nH]c(=O)c(=C(C)C)c1=O)cc2	ZINC000000053730	C=c2c(=O)[nH]n(c1ccccc1)c2=O
Cc2cc(C(=O)NCc1oc(C(C)(C)C)cc1C(O)=O)c(C)o2	ZINC000000032787	O=C(NCc1ccco1)c2ccoc2
CC(=O)NC(=O)c2cnn(c1ccccc1)c2N	ZINC000000170839	c2ccc(n1cccn1)cc2
Nc2ccc1n[nH]cc1c2	ZINC000000152290	c2ccc1n[nH]cc1c2
C[C@@H]2CN(c1ccc(NC(=O)CC#N)cc1)C[C@@H](C)O2	ZINC000000042088	C2CN(c1ccccc1)CCO2
CN(Cc1ccccc1)C(=O)C2CCCCC2	ZINC000000031784	O=C(NCc1ccccc1)C2CCCCC2
C[C@@H]2C[C@@H](OC(=O)CN1CCCCC1)CC(C)(C)C2	ZINC000000171967	O=C(CN1CCCCC1)OC2CCCCC2
CNC(=O)Nc2sc(c1ccc(F)cc1)cc2C(N)=O	ZINC000000003241	c2ccc(c1cccs1)cc2
OC3CCN(Cc2ccc1OCOc1c2)CC3	ZINC000000042082	C3CCN(Cc2ccc1OCOc1c2)CC3
OC[C@@H]1CCCC[N@]1Cc3ccc2OCOc2c3	ZINC000000209105	C3CCN(Cc2ccc1OCOc1c2)CC3
CCOc3cc(CNc2ccc(N1CCOCC1)cc2)cc(Br)c3OCC	ZINC000000623937	C3CN(c2ccc(NCc1ccccc1)cc2)CCO3
CO/N=C(/C(O)=O)c2cn1ccccc1n2	ZINC000000083403	c2ccn1ccnc1c2
C[C@@H](N)C3CCC(C(=O)Nc1ccnc2[nH]ccc12)CC3	ZINC000000005718	O=C(Nc1ccnc2[nH]ccc12)C3CCCCC3
COC(=O)n1c(=O)oc2ccc(Cl)cc12	ZINC000000035200	O=c2[nH]c1ccccc1o2
Cc1cc(CN)nn1C	ZINC000000158739	c1cn[nH]c1
CNC[C@@H](O)COc1ccc(Cl)c(C)c1	ZINC000000227598	c1ccccc1
CN(C)c4ccc(\C=c3\c(c1cccc2ccccc12)noc3=O)cc4	ZINC000000032255	O=c3onc(c1cccc2ccccc12)c3=Cc4ccccc4
NC[C@@H]2CN(Cc1ccccc1)CCO2	ZINC000000158731	C2CN(Cc1ccccc1)CCO2
C[N@@](CCOC(=O)c1cccs1)Cc2ccccc2	ZINC000000174336	O=C(OCCNCc1ccccc1)c2cccs2
Cc2ccc(C1=NCCCC1)cn2	ZINC000000018644	C2CCC(c1cccnc1)=NC2
C[N+](C)(C)CCc1ccc(O)cc1	ZINC000000518912	c1ccccc1
CCC(=O)Nc3ccc2[nH]cc(C1CCN(C)CC1)c2n3	ZINC000000023433	C3CC(c1c[nH]c2cccnc12)CCN3
Cc2cccn3n(C(=O)c1ccc(F)cc1)c(=S)nc23	ZINC000000033785	O=C(c1ccccc1)n2c(=S)nc3ccccn23
Cn2c1ccccc1n3c(=S)[nH]nc23	ZINC000000105761	S=c2[nH]nc3[nH]c1ccccc1n23
CC(C)N(C(C)C)C(=O)Cn1ccc(=N)c2ccccc12	ZINC000000226174	N=c1cc[nH]c2ccccc12
N=c3ccn(CC(=O)N1CCCc2ccccc12)c4ccccc34	ZINC000000226175	N=c3ccn(CC(=O)N1CCCc2ccccc12)c4ccccc34
NC[C@@H](Cc1ccccc1F)c2ccccc2	ZINC000000112546	C(Cc1ccccc1)c2ccccc2
C[N+](C)(C)C[C@H](O)CSc1nnnn1c2ccccc2	ZINC000000402524	c2ccc(n1cnnn1)cc2
CN2CCC(N(C)S(=O)(=O)c1ccccc1N(=O)=O)CC2	ZINC000000125679	O=S(=O)(NC1CCNCC1)c2ccccc2
COc4cc3C[C@H](CC2CCN(Cc1ccccc1)CC2)C(=O)c3cc4OC	ZINC000000597013	O=C3C(CC2CCN(Cc1ccccc1)CC2)Cc4ccccc34
CC2(C)OC(=O)N(c1cccnc1)[C@@]2(C)O	ZINC000000062835	O=C1OCCN1c2cccnc2
O[C@H](COc1ccccc1)CN2CCCC2	ZINC000000338041	C2CCN(CCCOc1ccccc1)C2
CC(C)c1ccc2c(c1)c4CCCc3cncn2c34	ZINC000000033121	C2Cc3cncn4c1ccccc1c(C2)c34
Cc1nn(C)c(C)c1/C=C/C(=O)C(C)(C)C	ZINC000000033124	c1cn[nH]c1
O=C(CSC1=NCCN1)[C@H]3COc2ccccc2O3	ZINC000000226316	O=C(CSC1=NCCN1)C3COc2ccccc2O3
COc1cc(CCN)c(N(=O)=O)cc1OC	ZINC000000138203	c1ccccc1
N=C3N1CCCCC[C@H]1Nc4sc2CCCCc2c34	ZINC000000280793	N=C3N1CCCCCC1Nc4sc2CCCCc2c34
CCCN2CCC([N@@](C)C[C@@H](O)c1ccccc1)CC2	ZINC000000214842	C2CC(NCCc1ccccc1)CCN2
O=C(N2CCN(c1ccccn1)CC2)c3ccccc3c4ccccc4	ZINC000000085809	O=C(N2CCN(c1ccccn1)CC2)c3ccccc3c4ccccc4
CC(=NNC1=NCCN1Cc2ccccc2)c3ccccc3	ZINC000000150294	C3CN(Cc1ccccc1)C(NN=Cc2ccccc2)=N3
O=C(Cn2nc(c1ccccc1)ccc2=O)NCCN3CCCC3	ZINC000000219351	O=C(Cn2nc(c1ccccc1)ccc2=O)NCCN3CCCC3
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12	ZINC000000001652	c2ccc1[nH]ccc1c2
Clc3cccc(N2CCN(C(=O)CN1CCCC1=O)CC2)c3	ZINC000000013447	O=C1CCCN1CC(=O)N3CCN(c2ccccc2)CC3
NCc2ccc1sccc1c2	ZINC000000159027	c2ccc1sccc1c2
O=C([C@@H]1CCCN1)N4CCN(C(c2ccccc2)c3ccccc3)CC4	ZINC000000252085	O=C(C1CCCN1)N4CCN(C(c2ccccc2)c3ccccc3)CC4
CSc1cccc2cccnc12	ZINC000000076924	c2ccc1ncccc1c2
Clc3cccc(N2CCN(C(=O)c1ccc(N(=O)=O)o1)CC2)c3	ZINC000000047039	O=C(N2CCN(c1ccccc1)CC2)c3ccco3
CCN(CCN(C)C)Cc1ccc(N(=O)=O)cc1	ZINC000000215712	c1ccccc1
C[N@]1[C@H]3CC[C@@H]1CC(O)(c2ccccc2)C3	ZINC000000238878	C2CC3CC(c1ccccc1)CC2N3
COc2ccc(C(=O)OCC[N+]1(C)CCOCC1)cc2	ZINC000000215710	O=C(OCCN1CCOCC1)c2ccccc2
COc3ccc(CC(=O)N1N=C(C)C[C@]1(O)c2ccncc2)cc3	ZINC000000048021	O=C(Cc1ccccc1)N2N=CCC2c3ccncc3
Nc2ncnc3[nH]c(N1CCCCC1)nc23	ZINC000000048025	C3CCN(c2nc1cncnc1[nH]2)CC3
Cn1c(C(C)(C)C)[n+](C)c2ccccc12	ZINC000000160394	c2ccc1[nH]cnc1c2
O=[S@@]1CCCS[C@@H]1c2cccnc2	ZINC000000039874	O=S1CCCSC1c2cccnc2
NC(=O)NCc1cccc(Cl)c1	ZINC000000101918	c1ccccc1
O=c2cc(N1CCOCC1)oc3ccccc23	ZINC000000004590	O=c2cc(N1CCOCC1)oc3ccccc23
CCOc2ccc(Cn1ccnc1)cc2N(=O)=O	ZINC000000122006	C(c1ccccc1)n2ccnc2
COc1ccccc1NC(=O)[C@H]3CCc2[nH]cnc2C3	ZINC000000004596	O=C(Nc1ccccc1)C3CCc2[nH]cnc2C3
COc3cccc(C(=O)N2CCN(C1CCCC1)CC2)c3	ZINC000000350317	O=C(N2CCN(C1CCCC1)CC2)c3ccccc3
CC2(C)NC(=N)NC(Nc1ccc(F)cc1)=N2	ZINC000000203677	N=C2NCN=C(Nc1ccccc1)N2
COc1cc(C)[n+](C)c(C)c1	ZINC000000392664	c1ccncc1
C[C@H]1CCC[C@@H](C)[N@]1C[C@@H](O)COc2ccc(N)cc2	ZINC000000262190	C2CCN(CCCOc1ccccc1)CC2
COc4ccc(C1=N[n+]2c(SC1)n(C)c3ccccc23)cc4	ZINC000000274883	C3Sc2[nH]c1ccccc1[n+]2N=C3c4ccccc4
CCn2c(=S)[nH]c(=O)\c(=C/c1ccc(C)o1)c2=O	ZINC000000092026	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccco2
O=C3N1CCC[C@@H]1Oc4cc2OCCOc2cc34	ZINC000000006995	O=C3N1CCCC1Oc4cc2OCCOc2cc34
CNC(=O)C1C(C)(C)C1(C)C	ZINC000000006440	C1CC1
Cc2ccc(Cn1cnc(N(=O)=O)n1)cc2	ZINC000000037047	C(c1ccccc1)n2cncn2
C[C@H](Cc1ccccc1)NCCn2cnc3n(C)c(=O)n(C)c(=O)c23	ZINC000000000293	O=c3[nH]c(=O)c2n(CCNCCc1ccccc1)cnc2[nH]3
CCOC(=O)N4CCC(NC2c1ccccc1c3ccccc23)CC4	ZINC000000217711	C4CC(NC2c1ccccc1c3ccccc23)CCN4
Nc2nc(N)nc(c1ccccc1Cl)n2	ZINC000000090336	c2ccc(c1ncncn1)cc2
NC(=O)c2ccc[n+](C[C@@H](O)COc1ccccc1)c2	ZINC000000297628	C(COc1ccccc1)C[n+]2ccccc2
CC(=O)Nc2ccc(OCC[n+]1ccccc1)cc2	ZINC000000297621	C(C[n+]1ccccc1)Oc2ccccc2
N=C3N[C@@H](C(=O)c1ccccc1)[C@@H](c2ccccc2)N3	ZINC000000173760	N=C3NC(C(=O)c1ccccc1)C(c2ccccc2)N3
Cc2cc[n+](C[C@@H](O)COc1ccccc1)cc2	ZINC000000297627	C(COc1ccccc1)C[n+]2ccccc2
Cc2ccc(C(=O)C1CCNCC1)cc2	ZINC000000110326	O=C(C1CCNCC1)c2ccccc2
C[C@H]1CC(O)(C(O)=O)C[C@@H](C)[N@]1C	ZINC000000105167	C1CCNCC1
CCOC(=O)N2CCC([N@@](CC)Cc1ccccc1)CC2	ZINC000000220004	C2CC(NCc1ccccc1)CCN2
COC(=O)C2=C(C)N(c1cccc(Cl)c1)C(=O)C2	ZINC000000037812	O=C1CC=CN1c2ccccc2
COC(=O)c2ccc(OC(=O)CSc1ccccc1N(=O)=O)cc2	ZINC000000075947	O=C(CSc1ccccc1)Oc2ccccc2
Cn3c1ccccc1n4cc(c2ccccc2)nc34	ZINC000000034781	c4ccc(c1cn3c(n1)[nH]c2ccccc23)cc4
Fc3ccc(Sc1ccccc1CNC2=NCCN2)cc3	ZINC000000346633	C3CN=C(NCc1ccccc1Sc2ccccc2)N3
CC2(C)CC(=O)C=C(Nc1ccc(OCC(F)(F)C(F)F)cc1)C2	ZINC000000230382	O=C2CCCC(Nc1ccccc1)=C2
COc1ccc(Br)cc1CSc2ccccc2C3=NCCCN3	ZINC000000590622	C3CNC(c1ccccc1SCc2ccccc2)=NC3
CN(C)CCNC(=O)c1cccc(Cl)c1	ZINC000000213479	c1ccccc1
COc1ccccc1OC[C@H](O)CNC(C)C	ZINC000000000513	c1ccccc1
Nc2nc(c1ccc(F)cc1F)cs2	ZINC000000035785	c2ccc(c1cscn1)cc2
COc1ccc(C=O)cc1Cn2nc(C)c(N(=O)=O)c2C	ZINC000000035780	C(c1ccccc1)n2cccn2
CCCS(=O)(=O)N3CCN(C(=O)c1cccc2ccccc12)CC3	ZINC000000268102	O=C(N1CCNCC1)c2cccc3ccccc23
Clc3ccc([C@@H](Cn1ccnc1)OCc2ccsc2Cl)c(Cl)c3	ZINC000000608101	C(OC(Cn1ccnc1)c2ccccc2)c3ccsc3
Nc1ccccc1\C=N\O	ZINC000000330045	c1ccccc1
Cc2cc(C)n(c1ccc(C(O)=O)cc1)n2	ZINC000000065045	c2ccc(n1cccn1)cc2
COc3ccc2oc(C(=O)c1ccccc1)c(N)c2c3	ZINC000000077016	O=C(c1ccccc1)c3cc2ccccc2o3
CC(C)Cc2nc(N1CCNCC1)c(C#N)c3CCCc23	ZINC000000554585	C3Cc2cnc(N1CCNCC1)cc2C3
COc2cc1CC[N@](CCC(N)=O)[C@H](C)c1cc2OC	ZINC000000525572	C2Cc1ccccc1CN2
Cc1nccn1S(=O)(=O)c2cc(Cl)ccc2Cl	ZINC000000049507	O=S(=O)(c1ccccc1)n2ccnc2
O=N(=O)c3ccc2c(=O)n(CC1CCNCC1)c(=O)c2c3	ZINC000000362563	O=c2n(CC1CCNCC1)c(=O)c3ccccc23
C[C@H]1CCC[C@H](O)[C@@H]1C	ZINC000002242645	C1CCCCC1
CN2CCCc3c(N)c1CCCCc1nc23	ZINC000000227962	C3CCc2nc1NCCCc1cc2C3
Cc3ccc(O)c([C@@H](CC(=O)N1CCNCC1)c2ccccc2)c3	ZINC000000538720	O=C(CC(c1ccccc1)c2ccccc2)N3CCNCC3
C[N+]2(C[C@@H]1CCCCC1=O)CCOCC2	ZINC000000544790	O=C1CCCCC1CN2CCOCC2
O=C2CSc3nc1ccccc1n23	ZINC000000039272	O=C2CSc3nc1ccccc1n23
COc3ccc(C2(O)C(=O)c1ccccc1C2=O)cc3	ZINC000000052632	O=C2C(c1ccccc1)C(=O)c3ccccc23
COc1cc(N)nc(N)n1	ZINC000000330430	c1cncnc1
Cc2ccc(S(=O)(=O)NCCC(=O)N1CCCCC1)cc2	ZINC000000042124	O=C(CCNS(=O)(=O)c1ccccc1)N2CCCCC2
CCC(=O)Nc2nnc(CSCc1ccccc1)s2	ZINC000000033336	C(SCc1nncs1)c2ccccc2
Cc2c(C(N)=O)sc3ncn(CC(=O)OC1CCCCC1)c(=O)c23	ZINC000000149887	O=C(Cn2cnc1sccc1c2=O)OC3CCCCC3
Cc1c[nH]c(=S)c(C#N)c1	ZINC000000120359	S=c1cccc[nH]1
CN([C@H]2[C@H](N1CCCC1)Cc3ccccc23)C(=O)Cc4cccc(N(=O)=O)c4	ZINC000000538092	O=C(Cc1ccccc1)NC3C(N2CCCC2)Cc4ccccc34
C3Cn1cccc1[C@H](Cc2ccccc2)N3	ZINC000000186715	C3Cn1cccc1C(Cc2ccccc2)N3
N[C@@H](CO)[C@@H](O)c1ccccc1	ZINC000000394590	c1ccccc1
CS(=O)(=O)c2nc1ccccc1s2	ZINC000000039662	c2ccc1scnc1c2
Cn1c(=S)sc2ccccc12	ZINC000000039665	S=c2[nH]c1ccccc1s2
Clc1ccc(N(=O)=O)cc1c3ccc(C=c2[nH]c(=S)[nH]c2=O)o3	ZINC000000071245	O=c1[nH]c(=S)[nH]c1=Cc3ccc(c2ccccc2)o3
COc3ccc(c2noc([C@@H]1CCCN1)n2)cc3	ZINC000000325030	C3CNC(c2nc(c1ccccc1)no2)C3
Cc2ccc1nc(C)cc(C)[n+]1c2	ZINC000000300829	c2cc[n+]1cccnc1c2
CN(C)c1nc(N(C)C)nc(N(C)C)n1	ZINC000000000905	c1ncncn1
NC(=N)c1cccs1	ZINC000000019906	c1ccsc1
NC1=N[C@@H](CC=C)CCCC1	ZINC000000019909	C1CCC=NCC1
Cc2cc(=O)n1cccc(O)c1n2	ZINC000000300824	O=c1ccnc2ccccn12
COc2ccc(c1c(C)nn(C)c1N)cc2OC	ZINC000000045339	c2ccc(c1cn[nH]c1)cc2
CCOC(=O)c2ccc(/N=C/c1ccc(Br)cc1)cc2	ZINC000000061350	C(=Nc1ccccc1)c2ccccc2
O[C@@H](CSc1cccs1)CN2CCCC2	ZINC000000160142	C2CCN(CCCSc1cccs1)C2
CCc2cc1CCN(C)Cc1o2	ZINC000000010622	C2Cc1ccoc1CN2
CCN(CC)C[C@@H](O)CSc1cccs1	ZINC000000160141	c1ccsc1
CN(C)CC[C@@](C)(O)Cc1ccccc1	ZINC000000034810	c1ccccc1
Cc2onc(c1ccccc1)c2C(=O)N3CCNCC3	ZINC000000158506	O=C(N1CCNCC1)c2conc2c3ccccc3
Cc2onc(c1ccccc1)c2CN	ZINC000000158500	c2ccc(c1ccon1)cc2
Cc3cc(N1CCOCC1)c2ccccc2n3	ZINC000000120748	C3CN(c1ccnc2ccccc12)CCO3
CCOC(=O)C2CCN([C@@H](C)CCc1ccc(O)cc1)CC2	ZINC000000221529	C2CCN(CCCc1ccccc1)CC2
C=c1c(=O)[nH]c2ccccc12	ZINC000000901509	C=c1c(=O)[nH]c2ccccc12
CC(=O)N1CCC(O)(CN)CC1	ZINC000019680530	C1CCNCC1
C3CCN(c2ccc1NCCc1c2)C3	ZINC000000005505	C3CCN(c2ccc1NCCc1c2)C3
Cc2cc(=O)c1ccccc1o2	ZINC000000162896	O=c1ccoc2ccccc12
CN(C)C(=S)Nc1ccccc1F	ZINC000000098464	c1ccccc1
Fc1ccccc1NC(=S)N2CCOCC2	ZINC000000098466	S=C(Nc1ccccc1)N2CCOCC2
Cc1cccc(OC[C@H](O)CNC(C)(C)C)c1C	ZINC000000000844	c1ccccc1
COc1ccc2c(c1)N4C(=O)C[C@H](C)[C@H]3C5(C[C@]2(C)[C@]34C)OCCO5	ZINC000000045051	O=C5CCC1C4C(CC12OCCO2)c3ccccc3N45
NC2=NC(=O)[C@H](c1ccccc1)O2	ZINC000000000591	O=C1N=COC1c2ccccc2
CC(C)(C)C1CCC(CN)(CC(O)=O)CC1	ZINC000000022774	C1CCCCC1
CN(C)C[C@@H]1CSCCC1=O	ZINC000000346382	O=C1CCSCC1
COCc2cc(C)nc(SCC(=O)c1ccc(O)c(O)c1)c2C#N	ZINC000000085612	O=C(CSc1ccccn1)c2ccccc2
O=c2[nH]c1ccccc1n2C3=CCNCC3	ZINC000000394330	O=c2[nH]c1ccccc1n2C3=CCNCC3
C3CN=C(Cc2ccc1OCOc1c2)N3	ZINC000000009671	C3CN=C(Cc2ccc1OCOc1c2)N3
CCS(=O)(=O)c1ccc(F)cc1	ZINC000000001468	c1ccccc1
CCc3nsc([C@H]1CN2CCC1CC2)n3	ZINC000000004100	C1CN3CCC1C(c2ncns2)C3
Nc2ncc(Cc1ccccc1)s2	ZINC000000063264	C(c1ccccc1)c2cncs2
Cc3ccc(c2n/c(=C/c1ccc(F)cc1)c(=O)o2)cc3N(=O)=O	ZINC000000060086	O=c2oc(c1ccccc1)nc2=Cc3ccccc3
CN(C)Cc1ccc(CO)o1	ZINC000000155106	c1ccoc1
COc2ccc(CCNC(=O)c1cccc(Cl)c1)cc2OC	ZINC000000037540	O=C(NCCc1ccccc1)c2ccccc2
Nn1c(=N)ccc2ccccc12	ZINC000000162425	N=c2ccc1ccccc1[nH]2
Cc3nc(c1ccccn1)nc(SCc2ccccc2)c3Cl	ZINC000000074843	C(Sc2ccnc(c1ccccn1)n2)c3ccccc3
COc3ccc2n1CCNC(=N)c1cc2c3	ZINC000000379046	N=C1NCCn2c1cc3ccccc23
CN[C@H](c1cccc(O)c1)C(C)(C)C(=O)NCc2cccc3ccccc23	ZINC000000589926	O=C(CCc1ccccc1)NCc2cccc3ccccc23
COc1ccc(Cl)cc1C(=O)N3CCN(c2ccccc2)CC3	ZINC000000030413	O=C(N2CCN(c1ccccc1)CC2)c3ccccc3
COc4ccc3n2CCN1CCCN=C1c2cc3c4	ZINC000000379048	C1CN=C2N(C1)CCn3c2cc4ccccc34
Clc1ccccc1OC(=O)C(c2ccccc2)c3ccccc3	ZINC000000038642	O=C(Oc1ccccc1)C(c2ccccc2)c3ccccc3
Nc1cc(N(=O)=O)ccc1F	ZINC000000164646	c1ccccc1
COc4ccc(c2nc1ccccn1c2NCCc3ccccc3)cc4	ZINC000000413887	C(Cc1ccccc1)Nc3c(c2ccccc2)nc4ccccn34
CCOc1ccccc1\C=c3/c(=O)[nH]n(c2ccccc2)c3=O	ZINC000000051731	O=c2[nH]n(c1ccccc1)c(=O)c2=Cc3ccccc3
Clc1cc(N(=O)=O)ccc1C(=O)Nc2nccs2	ZINC000000034139	O=C(Nc1nccs1)c2ccccc2
O[C@@]3(C[n+]1ccccc1)NCCc2ccccc23	ZINC000000051739	C3Cc1ccccc1C(C[n+]2ccccc2)N3
Cc1cc(C)c(C=O)c(O)c1	ZINC000000330233	c1ccccc1
CN(C)S(=O)(=O)N2CCN(c1ccccc1)CC2	ZINC000000030415	C2CN(c1ccccc1)CCN2
CC(C)CCNc2c(c1ccc(N(C)C)cc1)nc3cccc(C)n23	ZINC000000417142	c3ccc(c2cn1ccccc1n2)cc3
CC(C)NC(=O)OCc3cnc2c(=O)c1ncccc1c(=O)c2c3	ZINC000000007456	O=c2c1cccnc1c(=O)c3ncccc23
CC(C)(C)CC(=O)[n+]1ccccc1	ZINC000000040467	c1ccncc1
C[N@]1CCc3c(C1)c(O)c2OCOc2c3C(/C)=N\O	ZINC000000520267	C3Cc2cc1OCOc1cc2CN3
Clc2ccc1nccnc1c2	ZINC000000046555	c2ccc1nccnc1c2
COc1cc(Br)c(CCN)cc1OC	ZINC000000336690	c1ccccc1
COc2cccc(C(=O)N(C)c1ccccc1)c2	ZINC000000030011	O=C(Nc1ccccc1)c2ccccc2
Fc1ccccc1NC(=O)[C@H]3CN(c2ccc(Cl)cc2)C(=O)C3	ZINC000000043043	O=C2CC(C(=O)Nc1ccccc1)CN2c3ccccc3
N#Cc3sc2nc1ccccc1n2c3/N=C/N4CCOCC4	ZINC000000154506	C4CN(C=Nc2csc3nc1ccccc1n23)CCO4
Cc1nc(C)c(Cl)c(N)n1	ZINC000000154509	c1cncnc1
O=C2CS[C@@H](c1ccccc1)N2	ZINC000000296728	O=C2CSC(c1ccccc1)N2
OCc3cc(=O)c(O)c([C@@H](Nc1ncccn1)c2ccc(F)cc2)o3	ZINC000000038255	O=c3ccoc(C(Nc1ncccn1)c2ccccc2)c3
NCC(=O)NCCC(c1ccccc1)c2ccccc2	ZINC000000252332	C(c1ccccc1)c2ccccc2
COc3ccc(c2nnc(NC(=O)[C@H]1CCCN1)s2)cc3	ZINC000000324179	O=C(Nc2nnc(c1ccccc1)s2)C3CCCN3
COc2ccc(CCNC(=O)CN1CCC(C)CC1)cc2OC	ZINC000000038258	O=C(CN1CCCCC1)NCCc2ccccc2
COc1c(N)c(Cl)ncc1Cl	ZINC000000039063	c1ccncc1
Oc1ccc(Cl)cc1	ZINC000000001885	c1ccccc1
C[N@]1CC[C@]25[C@@H]3Oc4c(O)ccc(C[C@@H]1[C@@]2(O)CCC3=O)c45	ZINC000000001880	O=C1CCC2C3Cc4cccc5OC1C2(CCN3)c45
Cc1ncc(N(=O)=O)n1CCc2ccncc2	ZINC000000001882	C(Cn1ccnc1)c2ccncc2
COc2ccc1[nH]cc(CCNC(N)=N)c1c2	ZINC000000094217	c2ccc1[nH]ccc1c2
CN(C1CCCCC1)S(=O)(=O)c2ccccc2	ZINC000000029179	O=S(=O)(NC1CCCCC1)c2ccccc2
Clc3ccc(S[C@H](NC(=O)c1ccco1)C(=O)c2ccccc2)cc3	ZINC000000623004	O=C(NC(Sc1ccccc1)C(=O)c2ccccc2)c3ccco3
COc1ccc(C)cc1NS(=O)(=O)Cc2ccccc2	ZINC000000030276	O=S(=O)(Cc1ccccc1)Nc2ccccc2
CC(=O)NC[C@@H]1OCCc2ccccc12	ZINC000000108668	C2Cc1ccccc1CO2
CCOc1ccccc1C(=O)N(CC#N)CC#N	ZINC000000030274	c1ccccc1
CN1N=[O+]C(=O)C1c2ccccc2	ZINC000000038383	O=C1[O+]=NNC1c2ccccc2
CCN(CC)c2ccc(Nc1[nH]c(=O)nnc1C)cc2	ZINC000000114347	O=c2nncc(Nc1ccccc1)[nH]2
CCc2ccc(NC(=O)c1cccs1)cc2	ZINC000000029172	O=C(Nc1ccccc1)c2cccs2
Cc3nc(c2ccc(S(=O)(=O)N1CCCCCC1)s2)cs3	ZINC000000066259	O=S(=O)(N1CCCCCC1)c3ccc(c2cscn2)s3
CCOC(=O)CCN1CCC1	ZINC000000389483	C1CNC1
CCOC(=O)c2ccc(NC(=O)COc1ccccc1C)cc2	ZINC000000038380	O=C(COc1ccccc1)Nc2ccccc2
CC[N+](C)(C)CC/C=C2\[C@H]1C=C(Cl)C=C[C@H]1Sc3ccccc23	ZINC000000522534	C=C2C1C=CC=CC1Sc3ccccc23
Cc1nc(Br)c[nH]1	ZINC000002529806	c1c[nH]cn1
NC(=N)NCc2nn(Cc1ccccc1)c(=O)c3ccccc23	ZINC000000502110	O=c2n(Cc1ccccc1)ncc3ccccc23
Cc2nc1ccccn1c(=O)c2CC[N@]5CCc4sc3ccccc3c4C5	ZINC000000588307	O=c4c(CCN3CCc2sc1ccccc1c2C3)cnc5ccccn45
Cc2nc(NN)cc(c1ccccc1)n2	ZINC000000343388	c2ccc(c1ccncn1)cc2
NCc2cc1OCOc1cc2n3cccc3	ZINC000000056382	C3Oc2ccc(n1cccc1)cc2O3
CCOc3cc2CC(=O)O[C@@H](c1ccc(Cl)cc1)c2cc3OCC	ZINC000000099914	O=C3Cc1ccccc1C(c2ccccc2)O3
CCOC(=O)c1c(C)cc(C)[nH]c1=S	ZINC000000056384	S=c1cccc[nH]1
Nc2nnc(c1ccccc1F)s2	ZINC000000063851	c2ccc(c1nncs1)cc2
Nc2oc(c1ccccc1)cc2C#N	ZINC000000066647	c2ccc(c1ccco1)cc2
C[C@@H]2CN=C(NC1CCCCC1)S2	ZINC000000135009	C2CCC(NC1=NCCS1)CC2
CCOC(=O)c3ccc[n+](CCOn2c(=O)c1ccccc1c2=O)c3	ZINC000000388995	O=c2n(OCC[n+]1ccccc1)c(=O)c3ccccc23
Cc1ccc(C(N)=N)cc1F	ZINC000000127650	c1ccccc1
Cc2[nH]c1ccc(OC(F)(F)Cl)cc1c2CCN	ZINC000000034571	c2ccc1[nH]ccc1c2
NCc2ccc(n1cccn1)cc2	ZINC000000158886	c2ccc(n1cccn1)cc2
Cn2c[n+](Cc1ccccc1)cn2	ZINC000000401239	C(c1ccccc1)[n+]2cn[nH]c2
CCN(CC)CC(=O)NCC2(c1ccccc1)CCOCC2	ZINC000000185020	C2CC(c1ccccc1)CCO2
CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c2ccccc2	ZINC000000616977	O=S(=O)(NCCc1ccccc1)c2ccccc2
C[n+]1cc(N)cc2ccccc12	ZINC000000285277	c2ccc1ncccc1c2
CC(=O)Oc1cccccc1=O	ZINC000000003736	O=c1cccccc1
CC1(C)C[C@@H](CN)C(C)(C)N1O	ZINC000000409212	C1CCNC1
C2CC(Cc1c[nH]cn1)CCN2	ZINC000000005777	C2CC(Cc1c[nH]cn1)CCN2
CCOC(=O)c2ccc1n(CCO)c(C)[n+](CCO)c1c2	ZINC000000262673	c2ccc1[nH]cnc1c2
COC(=O)[C@@H]1CSC[C@@H]1N	ZINC000000005775	C1CCSC1
O=S3(=O)N=C(N1CCNCC1)c2ccccc23	ZINC000000070380	O=S3(=O)N=C(N1CCNCC1)c2ccccc23
C1CCC2(CC1)NCCc3c2[nH]c4ccccc34	ZINC000000083421	C1CCC2(CC1)NCCc3c2[nH]c4ccccc34
Cc2ccc(C)[n+](CNC(=O)c1ccc(Cl)cc1Cl)c2	ZINC000000035221	O=C(NC[n+]1ccccc1)c2ccccc2
O=N(=O)c1cccnc1Sc2ccccc2C3=NCCCN3	ZINC000000139953	C3CNC(c1ccccc1Sc2ccccn2)=NC3
O=C2CCC(NCc1ccccc1)=C2	ZINC000000018991	O=C2CCC(NCc1ccccc1)=C2
COC(=O)[C@@H]1SCC[C@H]1N	ZINC000000016593	C1CCSC1
O=C2C1CCN(CC1)/C2=C/c3ccco3	ZINC000000079875	O=C2C1CCN(CC1)C2=Cc3ccco3
CCOC(=O)c2c(Cl)c1cccc(C(F)(F)F)c1nc2SC	ZINC000000161525	c2ccc1ncccc1c2
COC(=O)C1=C(C)NC(=O)C[C@@H]1c2cc(Br)ccc2F	ZINC000000110054	O=C2CC(c1ccccc1)C=CN2
COc3ccc(/C=C/C(=O)O[C@@H]1CN2CCC1CC2)cc3	ZINC000000487888	O=C(OC1CN2CCC1CC2)C=Cc3ccccc3
O=C1CSCc2ccccc12	ZINC000000138440	O=C1CSCc2ccccc12
O=C(CC[N@]2CC[C@@H](c1ccccc1)C2)c3ccco3	ZINC000000177661	O=C(CCN2CCC(c1ccccc1)C2)c3ccco3
Nc2ccc(Sc1ccccc1)nc2	ZINC000000078402	S(c1ccccc1)c2ccccn2
Cc2noc(c1ccccc1)c2NC(=O)Nc4ccc3sccc3c4	ZINC000000129749	O=C(Nc2ccc1sccc1c2)Nc3cnoc3c4ccccc4
CC1(C)N[C@@H](C(O)=O)C(C)(C)S1	ZINC000000057168	C1CSCN1
Cc1cc(C)n(N)c(=O)c1C#N	ZINC000000047784	O=c1cccc[nH]1
CN3CCN(c1cc(C(F)(F)F)nc2ccc(F)cc12)CC3	ZINC000000171498	C3CN(c1ccnc2ccccc12)CCN3
C3CN=C(Sc1c[nH]c2ccccc12)N3	ZINC000000002177	C3CN=C(Sc1c[nH]c2ccccc12)N3
COc2ccc1[nH]cc(CN(C)C)c1c2	ZINC000000057161	c2ccc1[nH]ccc1c2
C[n+]1cccc2cc(O)ccc12	ZINC000000261990	c2ccc1ncccc1c2
CN3CCN(c2oc(c1ccco1)nc2C#N)CC3	ZINC000000534374	C3CN(c2cnc(c1ccco1)o2)CCN3
COC(=O)CC1CC(C)(C)NC(C)(C)C1	ZINC000000103960	C1CCNCC1
Clc3cccc(n2c(=S)[nH]c(=O)\c(=C/c1cccs1)c2=O)c3	ZINC000000228864	O=c2[nH]c(=S)n(c1ccccc1)c(=O)c2=Cc3cccs3
COc2cc(OC)c(C(=O)CCCN1CCCC1)c(OC)c2	ZINC000000005191	O=C(CCCN1CCCC1)c2ccccc2
CN(C)CCNS(=O)(=O)c2ccc(c1csc(C)n1)s2	ZINC000000066520	c2csc(c1cscn1)c2
O=C(NN1CCC=CC1)Nc2ccncc2	ZINC000000004551	O=C(NN1CCC=CC1)Nc2ccncc2
COc3ccc2n(C)c(C)c(C(=O)CNC1=NCCS1)c2c3	ZINC000000117589	O=C(CNC1=NCCS1)c2c[nH]c3ccccc23
CC(C)OC(=O)c1ccc(N)cc1	ZINC000000117584	c1ccccc1
COC(=O)Nc1ccc(Cl)cn1	ZINC000000036085	c1ccncc1
Cc1cccc(Cl)c1NC(=O)CN	ZINC000000394100	c1ccccc1
COc2ccc(/C=C/C(=O)N1CCCC1=O)cc2OC	ZINC000000004828	O=C1CCCN1C(=O)C=Cc2ccccc2
O=C2CCN[C@@H]1CCCC[C@H]12	ZINC000000140739	O=C2CCNC1CCCCC12
CN(C)C[C@@H]3CCc1c([nH]c2ccc(C)cc12)C3=O	ZINC000000208566	O=C1CCCc2c1[nH]c3ccccc23
O=N(=O)c1ccccc1CN3CCC(N2CCCCC2)CC3	ZINC000000243775	C3CCN(C2CCN(Cc1ccccc1)CC2)CC3
Cc2cc(=O)c1ccccc1c2=O	ZINC000000001677	O=c1ccc(=O)c2ccccc12
CN3C[C@@]2(C)c1ccccc1N(C)[C@@]2(O)C3=O	ZINC000000041036	O=C1NCC2C1Nc3ccccc23
CCN(CC)CCn2c1ccccc1n3nc(C)c(C(C)=O)c23	ZINC000000266077	c1ccc3c(c1)[nH]c2ccnn23
O=C(Cn3cnc2sc1CCCCc1c2c3=O)Nc4ccccc4	ZINC000000098329	O=C(Cn3cnc2sc1CCCCc1c2c3=O)Nc4ccccc4
CCOc4ccc([N+]3=C1CCCCCN1[C@](O)(c2ccc(F)cc2)C3)cc4	ZINC000000624138	C4CCN3C(c1ccccc1)C[N+](c2ccccc2)=C3CC4
CNC(=O)N(C1=NC[C@@H](C)S1)c2ccc(C)cc2	ZINC000000086392	C2CN=C(Nc1ccccc1)S2
CN(C)C(=S)NCc1cccnc1	ZINC000000098633	c1ccncc1
Nc3nc(N1CCCCC1)nc(N2CCCCC2)n3	ZINC000000270569	C3CCN(c2ncnc(N1CCCCC1)n2)CC3
C[C@H](O)CN1CCN(CCN(C[C@H](C)O)C[C@H](C)O)CC1	ZINC000000393842	C1CNCCN1
CN2C(=O)OC1(CC(C)(C)NC(C)(C)C1)[C@@]2(C)O	ZINC000000036887	O=C2NCC1(CCNCC1)O2
Cc1cc[n+](CCC(N)=O)cc1	ZINC000000393590	c1ccncc1
CC3(C)CC(NC(=O)c2ccc(n1cnnn1)cc2)CC(C)(C)N3	ZINC000000036884	O=C(NC1CCNCC1)c3ccc(n2cnnn2)cc3
Cc3cc(OCC(=O)n1cnc2ccccc12)ccc3N(=O)=O	ZINC000000036333	O=C(COc1ccccc1)n2cnc3ccccc23
CN(C1CC(C)(C)NC(C)(C)C1)C(=O)c2ccco2	ZINC000000036880	O=C(NC1CCNCC1)c2ccco2
C[N@]2CCc1cc(O)c(O)cc1[C@@H]2Cc3ccc(O)c(O)c3	ZINC000000056410	C3Cc1ccccc1C(Cc2ccccc2)N3
Brc1ccccc1NC(=O)COc2ccc(CC=C)cc2	ZINC000000058651	O=C(COc1ccccc1)Nc2ccccc2
Oc2ccc(N1CCNCC1)cc2	ZINC000000066007	C2CN(c1ccccc1)CCN2
CC(C)Oc1ccccc1C=c2c(=O)[nH]c(=S)[nH]c2=O	ZINC000000063033	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
COc3ccc(C(=O)N2CCN(CCCc1ccccc1)CC2)cc3	ZINC000000350371	O=C(N2CCN(CCCc1ccccc1)CC2)c3ccccc3
C[C@@]1(F)CNCCN(C(=O)CN)C1	ZINC000648144567	C1CNCCNC1
COc2ccc(Cc1c(Cl)ncnc1NN)cc2	ZINC000000295355	C(c1ccccc1)c2cncnc2
Cc3ccc2ncnc(N1CCCCCC1)c2c3	ZINC000000037931	C3CCCN(c1ncnc2ccccc12)CC3
O=Cc2ccc(S(=O)(=O)c1ccccc1)o2	ZINC000000040250	O=S(=O)(c1ccccc1)c2ccco2
C=CCC(=O)n1c(=O)sc2ccccc12	ZINC000000040256	O=c2[nH]c1ccccc1s2
COc2ccc(CCNC(=O)N1CCOCC1)cc2OC	ZINC000000202556	O=C(NCCc1ccccc1)N2CCOCC2
Cc1ccccc1CNc2nccc3ccccc23	ZINC000000013165	C(Nc1nccc2ccccc12)c3ccccc3
CN2CCC(=NOC(=O)c1ccc(C)cc1)CC2	ZINC000000262176	O=C(ON=C1CCNCC1)c2ccccc2
CC(C)(C)NC[C@@H](O)COc1ccccc1	ZINC000000213026	c1ccccc1
Clc2cc(Cl)c(N1CCNCC1)n(=O)c2	ZINC000000140958	O=n1ccccc1N2CCNCC2
CSc2nc(c1ccc(N(=O)=O)cc1)nn2C(C)=O	ZINC000000033358	c2ccc(c1nc[nH]n1)cc2
C[C@@H]2CCCN(C(=O)c1nc[nH]n1)C2	ZINC000000178780	O=C(N1CCCCC1)c2nc[nH]n2
NC(=S)C(=C/c1c(Cl)cccc1Cl)/C#N	ZINC000000046362	c1ccccc1
O=N(=O)c2cc1ccccc1oc2=O	ZINC000000092004	O=c2ccc1ccccc1o2
C[C@H](C=C)n1c(Br)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000040078	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
C[N+]2=C1[C@H](O)CCN1Cc3ccccc23	ZINC000000526298	C3CN2Cc1ccccc1N=C2C3
CC2(C)OC(=O)c1ccccc12	ZINC000000040073	O=C1OCc2ccccc12
CC[n+]1ccn(C)c1	ZINC000000388672	c1c[nH]cn1
Cc1ccc(NN=C(C#N)C(N)=S)cc1	ZINC000000040070	c1ccccc1
Brc2ccc(COC(=O)CNC(=O)c1ccccc1)cc2	ZINC000000332341	O=C(CNC(=O)c1ccccc1)OCc2ccccc2
COc3ccc2[nH]cc(C1CCN(C)CC1)c2n3	ZINC000000007594	C3CC(c1c[nH]c2cccnc12)CCN3
COc3ccc(n2c(SCC(C)=C)nc1ccccc1c2=O)cc3	ZINC000000028534	O=c2n(c1ccccc1)cnc3ccccc23
COc1ccc(Br)c(C(N)=O)c1	ZINC000000085133	c1ccccc1
Cc1c[n+](C)c(C)cc1Nc2ccccc2	ZINC000000050715	N(c1ccccc1)c2ccncc2
COC(=O)c1ccc(=O)n(CCN(C)C)c1	ZINC000000487069	O=c1cccc[nH]1
NC(=N)NC(=N)Nc1ccc(F)c(Cl)c1	ZINC000000088731	c1ccccc1
Brc1ccccc1C(=O)NCCN2CCCC2	ZINC000000467562	O=C(NCCN1CCCC1)c2ccccc2
Cc2c[n+]1ccccc1n2N	ZINC000000337480	c2cc[n+]1cc[nH]c1c2
CC[C@H](N)[C@@H]1CCCCNC1=O	ZINC000000199212	O=C1CCCCCN1
Cc2cc(C)c1c(=O)c(C#N)coc1c2	ZINC000000075964	O=c1ccoc2ccccc12
COc4ccc(Nc2nc(N1CCNCC1)nc3ccccc23)cc4	ZINC000000199215	C4CN(c3nc(Nc1ccccc1)c2ccccc2n3)CCN4
O=C(OC[C@H]1CCC[N@]2CCCC[C@@H]12)c3ccccc3	ZINC000000052243	O=C(OCC1CCCN2CCCCC12)c3ccccc3
Cc1cc(C)n(N)c(=O)c1	ZINC000000086953	O=c1cccc[nH]1
CN2C(=O)c1c(C)cccc1[C@@]23CC(=O)NC3=O	ZINC000000012730	O=C3CC2(NC(=O)c1ccccc12)C(=O)N3
Cc2nc(C#N)c(N1CCOCC1)o2	ZINC000000052246	C2CN(c1cnco1)CCO2
O=CNc1ccccc1Oc2ccccc2	ZINC000000028148	O(c1ccccc1)c2ccccc2
COc3ccc(c2cc(c1ccccc1)nc(NN)n2)cc3OC	ZINC000000435062	c3ccc(c2cc(c1ccccc1)ncn2)cc3
COc2cncc(N1CCCNCC1)c2	ZINC000000023624	C2CNCCN(c1cccnc1)C2
Oc1cc(Cl)c(Cl)cc1O	ZINC000000028147	c1ccccc1
C3CNCCN(c2cnc1ccccc1c2)C3	ZINC000000023622	C3CNCCN(c2cnc1ccccc1c2)C3
Cc2ccc1[nH]c(=O)oc1c2	ZINC000000163636	O=c2[nH]c1ccccc1o2
CCCC2=C(C(=O)OCC)[C@@H](c1ccccc1OCC)NC(=O)N2C	ZINC000000203943	O=C2NC=CC(c1ccccc1)N2
O=C(N[C@@H](C(=O)c1ccccc1)n2ccc(=O)[nH]c2=O)c3ccccc3	ZINC000000081632	O=C(NC(C(=O)c1ccccc1)n2ccc(=O)[nH]c2=O)c3ccccc3
Cc1ccc(O)c(Br)c1	ZINC000000164920	c1ccccc1
CC(=O)Cn1cc(Cl)c(=O)c(Cl)c1	ZINC000000076925	O=c1cc[nH]cc1
CN(C)CCNC(=O)NC2(C(F)(F)F)Oc1ccccc1O2	ZINC000000212686	C2Oc1ccccc1O2
Cc1ccccc1NC(=O)N2CCNC2=O	ZINC000000043520	O=C1NCCN1C(=O)Nc2ccccc2
Nc2nc1CC[N@](CC=C)CCc1s2	ZINC000000006644	C2Cc1ncsc1CCN2
Cc2nn(Cc1ccccc1F)c(C)[n+]2N	ZINC000000405175	C(c1ccccc1)n2cncn2
CC[n+]5cc1cc(OC)c(OC)cc1c4Cc3cc2OCOc2cc3c45	ZINC000000588521	C5Oc4cc3Cc1c(ncc2ccccc12)c3cc4O5
COc1ccccc1C=C(C#N)C#N	ZINC000000098073	c1ccccc1
CN(C)c4ccc([C@H](N1CCCC1)c3cc2OCOc2cc3O)cc4	ZINC000000045038	C4CCN(C(c1ccccc1)c3ccc2OCOc2c3)C4
COc2ccc(O)c(Cc1nccn1C)c2	ZINC000000003690	C(c1ccccc1)c2ncc[nH]2
CN2CCC(OC(=O)c1ccccc1F)CC2	ZINC000000383067	O=C(OC1CCNCC1)c2ccccc2
Nc1ccc(F)c(F)c1	ZINC000000388528	c1ccccc1
Cc3nc2c(c1ccc(Cl)cc1)c(C)nn2c(N)c3c4ccccc4	ZINC000000038069	c4ccc(c3cnc2c(c1ccccc1)cnn2c3)cc4
NCC(=C=C)c1cccs1	ZINC000000024822	c1ccsc1
Cc2cc(C)[n+]1cnn(N)c1n2	ZINC000000493016	c2cnc1[nH]nc[n+]1c2
C\C(=N\NC(N)=S)c1ccc(N)cc1	ZINC000000047573	c1ccccc1
CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc12	ZINC000000008902	O=c2[nH]c1ccccc1[nH]2
OCc2sc1=NCCn1c2c3csc4ccccc34	ZINC000000008907	C4Cn3c(c1csc2ccccc12)csc3=N4
CNC(=S)Nc1ccc(C)c(C#N)c1	ZINC000000040103	c1ccccc1
Cc2cc(C)cc(OC[C@H]1CNC(=O)O1)c2	ZINC000000000471	O=C2NCC(COc1ccccc1)O2
COC(=O)C12CCN(CC1)C2	ZINC000000003967	C1CN2CCC1C2
CCN(CC)C(=O)C2CCN(Cc1cccc(OC)c1)CC2	ZINC000000299603	C2CCN(Cc1ccccc1)CC2
NC(=O)CCS(=O)(=O)CCN1CCCC1	ZINC000000188933	C1CCNC1
Cc1[nH][nH]c(=O)c1[C@H](C(C#N)C#N)c2ccccc2	ZINC000000041283	O=c1[nH][nH]cc1Cc2ccccc2
COc3cccc(CNc2nc1ccccc1n2C)c3O	ZINC000000111513	C(Nc2nc1ccccc1[nH]2)c3ccccc3
COc1cc(CNC(C)(C)C)ccc1OCC(=O)NC(C)(C)C	ZINC000000359906	c1ccccc1
Cc3cc(c1ccccc1)nc4cc(C(=O)NC[C@@H]2CCCO2)nn34	ZINC000000061376	O=C(NCC1CCCO1)c4cc3nc(c2ccccc2)ccn3n4
Oc2cccc(CCNC(=O)\C=C\c1cccnc1)c2	ZINC000000017659	O=C(NCCc1ccccc1)C=Cc2cccnc2
CC[C@@H](N)C2(O)Cc1ccccc1C2	ZINC000000000388	C2Cc1ccccc1C2
C[C@@H]1CCCC[C@@H]1NC2CCN(C)CC2	ZINC000000182133	C2CCC(NC1CCNCC1)CC2
O=S(=O)(N1CCCCC1)c4ccc(c2csc3=NCCn23)cc4	ZINC000000182646	O=S(=O)(N1CCCCC1)c4ccc(c2csc3=NCCn23)cc4
CCC(=O)Nc1ccsc1C(=O)OC	ZINC000000082812	c1ccsc1
OCCc3ccc(O)c(n2nc1ccccc1n2)c3	ZINC000000056974	c3ccc(n2nc1ccccc1n2)cc3
CCCc3c(O)n2c1cc(C)ccc1nc(N(C)C)n2c3=O	ZINC000000005349	O=c2ccn3c1ccccc1ncn23
Cc2ccc(N1C(=O)CCC1=O)cc2	ZINC000000069314	O=C1CCC(=O)N1c2ccccc2
CN(C)C(=S)c1ccccc1	ZINC000000138051	c1ccccc1
NC(=O)c2[nH]c1ccc(Cl)cc1c2S(=O)(=O)c3ccccc3	ZINC000000005691	O=S(=O)(c1ccccc1)c2c[nH]c3ccccc23
CCOC(=O)C2CCN(C1CCN(CC)CC1)CC2	ZINC000000280142	C2CCN(C1CCNCC1)CC2
CN2C(=O)Cc3cnc(N1CCCCC1)nc23	ZINC000000019961	O=C3Cc2cnc(N1CCCCC1)nc2N3
C[N@]1CCC[C@@H]1c2ccc(N)nc2	ZINC000000251188	C2CNC(c1cccnc1)C2
CCn1c(=O)cc(N)n(CC=C)c1=O	ZINC000000000921	O=c1cc[nH]c(=O)[nH]1
CN3C(=O)C[C@H](NCc2ccc1OCOc1c2)C3=O	ZINC000000049269	O=C3CC(NCc2ccc1OCOc1c2)C(=O)N3
CC(=C)Cn1c(N)cc(=O)n(C)c1=O	ZINC000000000925	O=c1cc[nH]c(=O)[nH]1
COc2cc1nccc(N)c1cc2OC	ZINC000000000924	c2ccc1ncccc1c2
CC1(C)N(O)C(C)(C)[N+](=O)C1=CNN	ZINC000000436889	C=C1CNC[N+]1=O
CCC[N@]1CC[C@H]2[C@@H]1CCc3ccc(O)cc23	ZINC000000022280	C3CC1C(CCc2ccccc12)N3
CC2(C)CC[C@]1(C)CCC(C)(C)N=C1N2	ZINC000000057627	C2CNC1=NCCCC1C2
NCCc1ccc(S(N)(=O)=O)cc1	ZINC000000056629	c1ccccc1
NC[C@@H](O)c1ccc(O)c(O)c1	ZINC000000057623	c1ccccc1
Clc2cncc(OC[C@H]1CCN1)c2	ZINC000000018382	C2CC(COc1cccnc1)N2
N[C@H](Cc1ccccc1)C(=O)Nc2ccccc2	ZINC000000057629	O=C(CCc1ccccc1)Nc2ccccc2
CC(C)(C)NC(=O)c1ccc(F)cc1F	ZINC000000023882	c1ccccc1
O[C@H](COc2ccc(c1ccc(C#N)cc1)cc2)CN3CCCCC3	ZINC000000380606	C3CCN(CCCOc2ccc(c1ccccc1)cc2)CC3
COc3ccc(\C=C1/[C@@H](O)C2CCN1CC2)cc3	ZINC000000192680	C1CN2CCC1CC2=Cc3ccccc3
Cc2cc(NC(=O)c1ccc(N(=O)=O)c(C)c1)ccc2Br	ZINC000000102172	O=C(Nc1ccccc1)c2ccccc2
CC3(C)CC(NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)CC(C)(C)N3	ZINC000000351768	O=C(NC1CCNCC1)C2CC3CCCC(C2)C3=O
CN3[C@@H]2N=C(NCCN1CCOCC1)N(C)[C@H]2C(=O)N(C)C3=O	ZINC000000195433	O=C3NC2N=C(NCCN1CCOCC1)NC2C(=O)N3
Nc2ncc(C#N)c(c1ccccc1)n2	ZINC000000129223	c2ccc(c1ccncn1)cc2
Cc1ncsc1[C@H](O)c2ccco2	ZINC000000019387	C(c1ccco1)c2cncs2
C[C@@H]2C[N@@](CCc1ccccc1)CCC2=O	ZINC000000129229	O=C2CCN(CCc1ccccc1)CC2
O=C(CN1C(=O)COc2ccccc12)NCCN3CCCC3	ZINC000000219679	O=C(CN1C(=O)COc2ccccc12)NCCN3CCCC3
Cc2cn(CCN1[C@@H](CO)SCC1=O)c(=O)[nH]c2=O	ZINC000000022753	O=C1CSCN1CCn2ccc(=O)[nH]c2=O
CC(C)(C)c3ccc(CC[C@@H]2OC[C@@H](C[N+]1(C)CCOCC1)O2)cc3	ZINC000000202494	C3CN(CC2COC(CCc1ccccc1)O2)CCO3
COc1cc(CCN)cc2OCOc12	ZINC000000393470	C2Oc1ccccc1O2
COC(=O)CCN1C=CC(C)(C)C=C1	ZINC000000004347	C1C=CNC=C1
CCCN2CCC(N1CCC(O)CC1)CC2	ZINC000000279581	C2CCN(C1CCNCC1)CC2
Nc3nc2c1CCCCc1ccc2s3	ZINC000000026450	C1CCc2c(C1)ccc3scnc23
COc3c(C)cnc(CSc2nc1c(C)ccnc1[nH]2)c3C	ZINC000000014070	C(Sc2nc1cccnc1[nH]2)c3ccccn3
O=C(Nc1ccccc1)c3ccc[n+](Cc2ccc(N(=O)=O)cc2)c3	ZINC000000307878	O=C(Nc1ccccc1)c3ccc[n+](Cc2ccccc2)c3
COc4ccc(NC(=O)C2C(c1ccccc1)=C2c3ccccc3)cc4	ZINC000000051289	O=C(Nc1ccccc1)C3C(c2ccccc2)=C3c4ccccc4
CCOc3ccc2cc(c1ccc(Br)cc1)c(=O)oc2c3	ZINC000000057978	O=c2oc1ccccc1cc2c3ccccc3
COc1ccc(N)cc1Cl	ZINC000000162405	c1ccccc1
COc2cc(\C=N\c1ccc(C)cc1)cc(Br)c2O	ZINC000000059737	C(=Nc1ccccc1)c2ccccc2
Oc3ccc(n2c(=O)c1cc(Cl)c(Cl)cc1c2=O)cc3	ZINC000000062552	O=c2n(c1ccccc1)c(=O)c3ccccc23
COc2ccc1NC(=N)CSc1c2	ZINC000000336182	N=C2CSc1ccccc1N2
CC2(C)CC(NCc1ccccc1)CC(C)(C)N2	ZINC000000140566	C2CC(NCc1ccccc1)CCN2
O=C3NCC2(CCN(CCc1ccccc1)CC2)O3	ZINC000000001441	O=C3NCC2(CCN(CCc1ccccc1)CC2)O3
OC(=O)c1[nH]c(=O)[nH]c(=O)c1CN2CCCCC2	ZINC000000055669	O=c2[nH]cc(CN1CCCCC1)c(=O)[nH]2
COc3cccc(NC(=O)[C@H]2CN(c1ccc(C)cc1)C(=O)C2)c3	ZINC000000044784	O=C2CC(C(=O)Nc1ccccc1)CN2c3ccccc3
COc4c1OCOc1cc3CC[N@@](C)[C@H](c2ccc(O)cc2O)c34	ZINC000000526567	C4Cc2cc1OCOc1cc2C(c3ccccc3)N4
CC1OC[C@@H]2[C@@H](CO1)C2(Cl)Cl	ZINC000000077632	C2OCC1CC1CO2
COc3cc(NC(=O)c1ccccc1)c2ncccc2c3	ZINC000000051757	O=C(Nc1cccc2cccnc12)c3ccccc3
S=C2N=NC(c1ccco1)N2N=Cc3c[nH]c4ccccc34	ZINC000000032491	S=C2N=NC(c1ccco1)N2N=Cc3c[nH]c4ccccc34
O[C@H]2C[N+]3(Cc1ccccc1N(=O)=O)CCC2CC3	ZINC000000178979	C2C[N+]3(Cc1ccccc1)CCC2CC3
C[N+]13CCC(CC1)[C@@](C#N)(N2CCOCC2)C3	ZINC000000178971	C3CN(C1CN2CCC1CC2)CCO3
C[N+](C)(C)CCOc1ccc(N(=O)=O)cc1	ZINC000000347459	c1ccccc1
CC1=CC[C@H](C(C)(C)O)CC1=O	ZINC000000011168	O=C1CCCC=C1
CN(C)[C@H]3CCc2[nH]c1c(F)cc(F)cc1c2C3	ZINC000000000312	C1CCc2c(C1)[nH]c3ccccc23
CNC[C@@H](OC)c1cccc(C(F)(F)F)c1	ZINC000000000313	c1ccccc1
CN3CC[C@@](O)(c1ccc(F)cc1)[C@H](C(=O)c2ccc(F)cc2)C3	ZINC000000000310	O=C(C1CNCCC1c2ccccc2)c3ccccc3
O=C(Nc1ccncc1)OC[C@@H]2CCCO2	ZINC000000040441	O=C(Nc1ccncc1)OCC2CCCO2
C[N+]3(C[C@@H]2COC1(CCCC1)O2)CCCC3	ZINC000000185910	C3CCN(CC2COC1(CCCC1)O2)C3
COc2ccc(Nc1ncc[nH]1)c(C)c2	ZINC000000020287	N(c1ccccc1)c2ncc[nH]2
O=C(CN2CC[n+]3cc(c1ccccc1)sc23)c4ccccc4	ZINC000000161782	O=C(CN2CC[n+]3cc(c1ccccc1)sc23)c4ccccc4
Cc2c(C#N)c1ccccc1n2CC(=O)NCc4ccc3OCOc3c4	ZINC000000029033	O=C(Cn1ccc2ccccc12)NCc4ccc3OCOc3c4
CC(=O)NC1CC(C)(C)NC(C)(C)C1	ZINC000000154561	C1CCNCC1
C1CN3CCC1C(=C/c2cccnc2)/C3	ZINC000000006870	C1CN3CCC1C(=Cc2cccnc2)C3
COc1ccc(CC(=O)N(C)C)cc1	ZINC000000029158	c1ccccc1
C[N+]12CCC(CC1)[C@@H](O)C2	ZINC000000502093	C1CN2CCC1CC2
CN4CCN(c3oc(Cc1cccc2ccccc12)nc3C#N)CC4	ZINC000000537937	C4CN(c3cnc(Cc1cccc2ccccc12)o3)CCN4
Nc2cc(N)nc(SCC(=O)N1CCCCC1)n2	ZINC000000421016	O=C(CSc1ncccn1)N2CCCCC2
NS(=O)(=O)c2ccc(NC(=O)c1ccco1)cc2	ZINC000000030299	O=C(Nc1ccccc1)c2ccco2
C[C@@H](OC(=O)c1cccc(Cl)c1)c2ccc[n+](C)c2	ZINC000000136719	O=C(OCc1cccnc1)c2ccccc2
CCOc1ccccc1C(=O)Nc2ccc(Cl)cn2	ZINC000000030293	O=C(Nc1ccccn1)c2ccccc2
Cc3cc(C)c(n1nnnc1SCC(=O)c2cccs2)c(C)c3	ZINC000000066274	O=C(CSc1nnnn1c2ccccc2)c3cccs3
CC(C)(CO)NC[C@H](O)Cn2c1ccccc1c3ccccc23	ZINC000000339502	c1ccc3c(c1)[nH]c2ccccc23
COc2ccc(OC)c1C[C@@]3(CCc12)CN=CN3	ZINC000000006258	C2CC1(CN=CN1)Cc3ccccc23
COc2ccc(NC(=S)N1CCC[N@](C(C)C)C1)cc2Cl	ZINC000000260322	S=C(Nc1ccccc1)N2CCCNC2
Cc2ccnc([C@@H](N)c1ccccc1)c2	ZINC000000120163	C(c1ccccc1)c2ccccn2
C=Cc1c[nH]c(=O)[nH]c1=O	ZINC000000016359	O=c1cc[nH]c(=O)[nH]1
Cc1cc(=O)cc(C)n1C	ZINC000000031212	O=c1cc[nH]cc1
FC(F)(F)c2cc(c1cccs1)oc(=S)c2C#N	ZINC000000031211	S=c2cccc(c1cccs1)o2
CC#Cc1c[nH]c(=O)[nH]c1=O	ZINC000000016355	O=c1cc[nH]c(=O)[nH]1
CC(C)(O)C#Cc1ccccc1	ZINC000001734462	c1ccccc1
NCCc2ccc(S(=O)(=O)N1CCOCC1)cc2	ZINC000000056364	O=S(=O)(N1CCOCC1)c2ccccc2
COc1ccc(N)cc1C(F)(F)F	ZINC000000056366	c1ccccc1
C[C@@H](Oc1ccccc1)C(=O)N2CCCc3ccccc23	ZINC000000030920	O=C(COc1ccccc1)N2CCCc3ccccc23
CC(C)Oc1ccccc1N4CCN(Cc3cccc([C@H](O)c2ccccc2)c3)CC4	ZINC000000598768	C2CN(c1ccccc1)CCN2Cc4cccc(Cc3ccccc3)c4
COc2ccc(\C=N\c1ccc(OC(F)(F)F)cc1)cc2OC	ZINC000000045811	C(=Nc1ccccc1)c2ccccc2
OC[C@H](NC(=O)c1cc2CCc3ccc(CCc1cc2)cc3)c4ccccc4	ZINC000000632284	O=C(NCc1ccccc1)c2cc3CCc4ccc(CCc2cc3)cc4
NC(=N)NC(=N)N1N=CC[C@@H]1c2ccccc2	ZINC000000118310	C1C=NNC1c2ccccc2
COc1ccccc1N4CCN(CCc3ccc2[nH]c(=O)sc2c3)CC4	ZINC000000604740	O=c4[nH]c3ccc(CCN2CCN(c1ccccc1)CC2)cc3s4
CC(C)(O)C#C[C@@H](O)c1ccccc1F	ZINC000000077192	c1ccccc1
C[C@H](N(c1ccccc1)S(C)(=O)=O)C(=O)NCc2ccco2	ZINC000000080241	O=C(CNc1ccccc1)NCc2ccco2
O=C(COc3ccc2c1CCCCCc1c(=O)oc2c3)c4ccccc4	ZINC000000118906	O=C(COc3ccc2c1CCCCCc1c(=O)oc2c3)c4ccccc4
COc1ccc(Cl)cc1N	ZINC000000153252	c1ccccc1
CCc3nn2c(=O)cc(N1CCNCC1)nc2s3	ZINC000000213538	O=c2cc(N1CCNCC1)nc3scnn23
C[N+]3([C@@H]1CC[C@H]2CC[C@@H]1[C@@H]2O)CCCC3	ZINC000000253002	C3CCN(C1CCC2CCC1C2)C3
CCc1nccn1S(=O)(=O)c2cc(Cl)ccc2Br	ZINC000000208692	O=S(=O)(c1ccccc1)n2ccnc2
O=S2(=O)N=CNc1ccccc12	ZINC000000258057	O=S2(=O)N=CNc1ccccc12
COc1cc(\C=C(\C)N(=O)=O)ccc1OCc2ccccc2Cl	ZINC000000258727	C(Oc1ccccc1)c2ccccc2
O=C1CC[C@H]2[C@@H]1CCC2=O	ZINC000000164025	O=C1CCC2C1CCC2=O
Cc1cccc(C)c1n2ccnc2	ZINC000000026453	c2ccc(n1ccnc1)cc2
Cc1ccc(NC(=O)/C=C/C(N)=O)cc1	ZINC000000046541	c1ccccc1
OC[C@@H]2CCC[N@@](Cc1ccc(Br)o1)C2	ZINC000000209142	C2CCN(Cc1ccco1)CC2
CC(C)(O)C#Cc1ccc(CO)cc1	ZINC000000169886	c1ccccc1
C1CC[N+]3(C1)CCN(c2nccs2)CC3	ZINC000000405551	C1CC[N+]3(C1)CCN(c2nccs2)CC3
C=CC[N+]2(CC#Cc1ccccc1)CCOCC2	ZINC000000196849	C2CN(CC#Cc1ccccc1)CCO2
Fc1ccccc1[C@@H]2SCC(=O)N2CCN3CCCCC3	ZINC000000072749	O=C2CSC(c1ccccc1)N2CCN3CCCCC3
CN(C)S(=O)(=O)Nc1ccc(C)cc1	ZINC000000171167	c1ccccc1
CN2CCC(=NOC(=O)Nc1ccccc1)CC2	ZINC000000171161	O=C(Nc1ccccc1)ON=C2CCNCC2
CN(C)C[C@@H](O)COc1ccccc1CCc2ccccc2	ZINC000000013099	C(Cc1ccccc1)c2ccccc2
C1CCc2c(C1)cnc3cccc[n+]23	ZINC000000390801	C1CCc2c(C1)cnc3cccc[n+]23
Cn1cc(I)c(C#N)n1	ZINC000000049647	c1cn[nH]c1
O=N(=O)c2ccc1cnncc1c2	ZINC000000049649	c2ccc1cnncc1c2
COc2ccc(Br)c(C(=O)Nc1c(F)cccc1F)c2	ZINC000000075287	O=C(Nc1ccccc1)c2ccccc2
Cc2ccnc(NC[C@H](O)COc1ccc(Cl)cc1)c2	ZINC000000302160	C(CNc1ccccn1)COc2ccccc2
COC(=O)c1ccc(CN(C)C)o1	ZINC000000169083	c1ccoc1
CCn2c(N)[n+](CC(=O)c1ccc(C)cc1)c3ccccc23	ZINC000000086386	O=C(C[n+]1c[nH]c2ccccc12)c3ccccc3
CN(C)C(=O)Nc1cc(C)cc(C)c1	ZINC000000129762	c1ccccc1
Cc2ncc(Cn1c(C)c(CCO)sc1=O)c(N)n2	ZINC000000002152	O=c1sccn1Cc2cncnc2
COc1ccc(C=O)c(Br)c1O	ZINC000000057109	c1ccccc1
Cn1cnc2n(C)c(=O)[nH]c(=O)c12	ZINC000000002151	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cc1ccccc1C(=O)n2cnc(N)n2	ZINC000000052467	O=C(c1ccccc1)n2cncn2
Cc1cc(N)ccc1c2ccc(N)cc2C	ZINC000000057105	c2ccc(c1ccccc1)cc2
CC(=O)Oc2c(C)c(C)c1O[C@@](C)(CC[N+](C)(C)C)CCc1c2C	ZINC000000012154	C2COc1ccccc1C2
O=C(NC2CCN(Cc1ccccc1)CC2)c4ccc3OCCc3c4	ZINC000000146717	O=C(NC2CCN(Cc1ccccc1)CC2)c4ccc3OCCc3c4
Clc1ccccc1C(=O)NC(=S)Nc2cccc3nsnc23	ZINC000000174195	O=C(NC(=S)Nc1cccc2nsnc12)c3ccccc3
Cc2ccc1c(N)cccc1n2	ZINC000000171344	c2ccc1ncccc1c2
CC(C)Nc3nc(N1CCCC1)nc(N2CCCC2)n3	ZINC000000087389	C3CCN(c2ncnc(N1CCCC1)n2)C3
CCC3=NN(C(=O)c1cccnc1)[C@@](O)(c2ccc(OC)cc2)C3	ZINC000000068230	O=C(N1N=CCC1c2ccccc2)c3cccnc3
CN(C)Cc3ccc(C(=O)N2CCN(Cc1ccccc1)CC2)cc3	ZINC000000013541	O=C(N2CCN(Cc1ccccc1)CC2)c3ccccc3
Cc2cc(C)c1[nH]c(C)c(CCN)c1c2	ZINC000000140715	c2ccc1[nH]ccc1c2
Nc3sc2C[N@@](CCc1ccccc1)CCc2c3C#N	ZINC000000258949	C(Cc1ccccc1)N3CCc2ccsc2C3
Cc1ccc(C)c2c(CCN)c(C)[nH]c12	ZINC000000140717	c2ccc1[nH]ccc1c2
C[C@H](N1CCC(O)CC1)c2ccccc2	ZINC000000208239	C2CCN(Cc1ccccc1)CC2
Clc2ccc(C(=O)Cn1c[n+](CC=C)cn1)c(Cl)c2	ZINC000000495127	O=C(Cn1cncn1)c2ccccc2
NC(=O)c3ccc(n1nnnc1SCc2ccc(Cl)cc2)cc3	ZINC000000226680	C(Sc1nnnn1c2ccccc2)c3ccccc3
Cc1ccsc1\C=N\c2ccc(Cl)cc2C(=O)c3ccccc3	ZINC000000063020	O=C(c1ccccc1)c2ccccc2N=Cc3cccs3
CC(C)Cc3ccc([C@H](C)C(=O)Nc2ccc1OCCOc1c2)cc3	ZINC000000112505	O=C(Cc1ccccc1)Nc3ccc2OCCOc2c3
O=C(CCn1c(=O)oc2ccccc12)NCCN3CCCCC3	ZINC000000128540	O=C(CCn1c(=O)oc2ccccc12)NCCN3CCCCC3
CC2CCC([N@]1CCC[C@@H](O)C1)CC2	ZINC000000221483	C2CCC(N1CCCCC1)CC2
Cc1ccc(C#N)n1C	ZINC000000160266	c1cc[nH]c1
NC(=O)C1=CCc2ccccc12	ZINC000000111850	C1C=Cc2ccccc12
CCOC(=O)N1N=C(C)C[C@@]1(O)c2ccccc2	ZINC000000053332	C1C=NNC1c2ccccc2
Cc4cc(n1ccnc1C)n3c2ccccc2nc3c4C#N	ZINC000000183184	c1ccc4c(c1)nc3cccc(n2ccnc2)n34
CN(C)CCOC(=O)Nc1sc(=S)n(C)c1C	ZINC000000196210	S=c1[nH]ccs1
Cc4ccc([C@@H](O)Cn2c1=NCCCn1c3ccccc23)cc4	ZINC000000315384	C1CN=c3n(C1)c2ccccc2n3CCc4ccccc4
CC(C)c3ccc(Nc2nc(Cl)nc(N1CCCCC1)n2)cc3	ZINC000000063019	C3CCN(c2ncnc(Nc1ccccc1)n2)CC3
CNCc1ccccc1[C@H](O)c2ccc(F)cc2	ZINC000000004120	C(c1ccccc1)c2ccccc2
Cc1nn(CC(O)=O)cc1Br	ZINC000000215752	c1cn[nH]c1
CN(Cc1ccccc1)c3nc(C(F)F)cc(c2ccc(C)cc2)n3	ZINC000000215022	C(Nc2nccc(c1ccccc1)n2)c3ccccc3
NC(=S)N/N=C/C(Cl)=C/c1ccc(N(=O)=O)cc1	ZINC000000048067	c1ccccc1
COc1ccc([C@@H](C)N)cc1	ZINC000000295628	c1ccccc1
O[C@@]13NC(=O)N(CC=C)[C@]1(O)c2ccccc2C3=O	ZINC000000052881	O=C1NC3C(N1)c2ccccc2C3=O
CN(C)CCO[C@@H](c1ccc(Cl)cc1)c2ccccn2	ZINC000000000122	C(c1ccccc1)c2ccccn2
NC(=O)O[C@@H](C#C)c1ccccc1	ZINC000000000125	c1ccccc1
CC(C)OC(=O)c2cc1c(OC[C@H](O)CNC(C)(C)C)cccc1[nH]2	ZINC000000000127	c2ccc1[nH]ccc1c2
ClC(Cl)(Cl)[C@@H](NC(=O)c1ccccc1)Nc2ncccn2	ZINC000000158331	O=C(NCNc1ncccn1)c2ccccc2
CC(C)(C)NC[C@@H](O)COc2cccc1NC(=O)CCc12	ZINC000000000128	O=C2CCc1ccccc1N2
O/N=C/c2c[nH]c(c1ccccc1)n2	ZINC000000132814	c2ccc(c1ncc[nH]1)cc2
CC1(C)Cc2c(CO1)[nH]c3ncnc(N)c23	ZINC000000509451	C1Cc2c(CO1)[nH]c3ncncc23
COc2cc(C(=O)NCC(=O)n1nc(C)cc1C)cc(OC)c2OC	ZINC000000233123	O=C(CNC(=O)c1ccccc1)n2cccn2
CC(=O)Nc1cccc2nonc12	ZINC000000291833	c2ccc1nonc1c2
C[C@@H](N)c1c(C)n[nH]c1C	ZINC000000054781	c1cn[nH]c1
Nc2ncc(c1ccccc1)c(N)n2	ZINC000000040057	c2ccc(c1cncnc1)cc2
CC2=NO[C@@](O)(c1ccc(N(=O)=O)cc1)C2	ZINC000000040053	C1C=NOC1c2ccccc2
COc2ccc1S(=O)C(C(N)=O)=C(OC(C)C)c1c2	ZINC000000006045	O=S1C=Cc2ccccc12
OC12CCCC(CCC1)O2	ZINC000000335191	C1CC2CCCC(C1)O2
COc1ccccc1C=Nc2nnc[nH]2	ZINC000000040058	C(=Nc1nnc[nH]1)c2ccccc2
C[C@](O)(CCc2ccc1OCOc1c2)C#C	ZINC000000034296	C2Oc1ccccc1O2
COc2ccc1C(O)=C[C@](O)(C(F)F)Oc1c2	ZINC000000062765	C2Oc1ccccc1C=C2
NC(=O)c1nc(Cl)ccc1Cl	ZINC000000139457	c1ccncc1
Clc2ccc(CCNC1=NCCS1)cc2	ZINC000000100334	C(Cc1ccccc1)NC2=NCCS2
CC(C)(C)c2cc(CCC(=O)N1CCNCC1)c(C(C)(C)C)cc2O	ZINC000000197926	O=C(CCc1ccccc1)N2CCNCC2
CC(C)NC(=N)Cn1cnc2n(C)c(=O)n(C)c(=O)c12	ZINC000000091395	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
C[N@@](C[C@@H](O)C(F)(F)F)C1CCCCC1	ZINC000000167457	C1CCCCC1
C3CCN(C2CCN(Cc1ccccn1)CC2)C3	ZINC000000317875	C3CCN(C2CCN(Cc1ccccn1)CC2)C3
O/N=C(\COC(=O)c1ccc(Br)cc1)c2ccccc2	ZINC000000059501	N=C(COC(=O)c1ccccc1)c2ccccc2
NS(=O)(=O)c3ccc(NC(=O)CN1CCc2ccccc12)cc3	ZINC000000131432	O=C(CN1CCc2ccccc12)Nc3ccccc3
Nc4nc(N)c3c(CSc2ccc1ccccc1c2)coc3n4	ZINC000000007312	C(Sc2ccc1ccccc1c2)c3coc4ncncc34
C[C@@H](N)c2nc1ccccc1[nH]2	ZINC000000065087	c2ccc1[nH]cnc1c2
CN3C(=O)N(c1ccccc1)C2(CCNCC2)C3=O	ZINC000000016722	O=C2NC(=O)C1(CCNCC1)N2c3ccccc3
O=C([C@@H]1CCCNC1)N3CCC(CN2CCOCC2)CC3	ZINC000037820615	O=C(C1CCCNC1)N3CCC(CN2CCOCC2)CC3
CSC(=[N+]1CCOCC1)c2ccc(O)cc2	ZINC000000339192	C2C[N+](=Cc1ccccc1)CCO2
Oc2c(C(=O)Nc1ccc(Cl)cc1Cl)cnc3ccccc23	ZINC000000043502	O=C(Nc1ccccc1)c3cnc2ccccc2c3
CC(=O)Nc1ccccc1	ZINC000000142824	c1ccccc1
COc3nc(C)nc(NC(=O)c2cnc1ccccc1c2O)n3	ZINC000000043509	O=C(Nc1ncncn1)c3cnc2ccccc2c3
CC3CCC(NCCc2ccc1OCOc1c2)CC3	ZINC000000172106	C3CCC(NCCc2ccc1OCOc1c2)CC3
C[C@@H](O)CN(C[C@@H](C)O)Cc1ccccc1Cl	ZINC000000214572	c1ccccc1
O=C(c1cccs1)n2cccn2	ZINC000000052671	O=C(c1cccs1)n2cccn2
COc2ccc1[nH]c(CN)cc1c2	ZINC000000012384	c2ccc1[nH]ccc1c2
CCOC(=O)[C@@H](CN)c1ccccc1	ZINC000000383044	c1ccccc1
Cc1nc(N)sc1Cc2ccc(O)cc2	ZINC000000034433	C(c1ccccc1)c2cncs2
CC(=O)c3ccc(N2CCN(C(=O)c1cccs1)CC2)c(F)c3	ZINC000000034434	O=C(N2CCN(c1ccccc1)CC2)c3cccs3
CC(=O)Nc1ccccn1	ZINC000000333928	c1ccncc1
C[C@H]1CC(=O)NN=C1c3ccc2O[C@@H](C)C(=O)Nc2c3	ZINC000000024519	O=C3CCC(c2ccc1OCC(=O)Nc1c2)=NN3
CC[C@@H](Oc1ccccc1)C(=O)Nc3sc2CCCCc2c3C#N	ZINC000000064686	O=C(COc1ccccc1)Nc3cc2CCCCc2s3
CCc3nc2n(c1ccccc1)ncc2c(=O)n3c4ccc(OC)cc4	ZINC000000064683	O=c3n(c1ccccc1)cnc4n(c2ccccc2)ncc34
C4Oc3ccc(\C=N\Oc1ncnc2ccccc12)cc3O4	ZINC000000038043	C4Oc3ccc(C=NOc1ncnc2ccccc12)cc3O4
O=c2n(C[C@@H]1CNCCO1)c(=O)c3ccccc23	ZINC000000160590	O=c2n(CC1CNCCO1)c(=O)c3ccccc23
Cc1cc(CN=NC(N)=S)ncc1O	ZINC000000017094	c1ccncc1
COc1ccc(Cl)cc1NC(=O)CSc2ccccn2	ZINC000000031481	O=C(CSc1ccccn1)Nc2ccccc2
NC(=O)c2cccc(/N=C/c1cc(Br)ccc1O)c2	ZINC000000047882	C(=Nc1ccccc1)c2ccccc2
C2OC(C[n+]1ccccc1)OCc3ccccc23	ZINC000000319414	C2OC(C[n+]1ccccc1)OCc3ccccc23
CN3CCN(c1ncnc2sc(C)c(C)c12)CC3	ZINC000000087716	C3CN(c1ncnc2sccc12)CCN3
CC(C)(C)NC[C@@H](O)c1ccccc1F	ZINC000000000311	c1ccccc1
COc2cc(NS(=O)(=O)c1ccc(N)cc1)nc(C)n2	ZINC000000002098	O=S(=O)(Nc1ccncn1)c2ccccc2
CN2CCc3c(N)c1ccccc1nc23	ZINC000000015525	C3Cc2cc1ccccc1nc2N3
COc4ccc([C@H]1C(C#N)=C(N)Oc2c1c(=O)oc3ccccc23)cc4	ZINC000000156782	O=c4oc1ccccc1c3OC=CC(c2ccccc2)c34
Nc2c1CCNc1nc3ccccc23	ZINC000000015529	C3Cc2cc1ccccc1nc2N3
CCOc1ccccc1N3CCN(C2CCN(C)CC2)CC3	ZINC000000279943	C3CC(N2CCN(c1ccccc1)CC2)CCN3
Cn2c([C@@H](O)c1ccccc1)[n+](C)c3ccccc23	ZINC000000231567	C(c1ccccc1)c3nc2ccccc2[nH]3
CC(C)(C)OC(=O)N1CCNCC1	ZINC000000152447	C1CNCCN1
C2n1ccccc1=Nc3cccc[n+]23	ZINC000000369641	C2n1ccccc1=Nc3cccc[n+]23
Cn3c(NCc2ccc1OCOc1c2)nc4ccccc34	ZINC000000196187	C4Oc3ccc(CNc2nc1ccccc1[nH]2)cc3O4
COc2ccc(CNC[C@@]1(O)CCOC(C)(C)C1)cc2	ZINC000000171758	C2CC(CNCc1ccccc1)CCO2
c4ccc(c2nnc3c1ccccc1cnn23)cc4	ZINC000000018012	c4ccc(c2nnc3c1ccccc1cnn23)cc4
ON=C2C1CC3CC(C1)CC2C3	ZINC000000156568	N=C2C1CC3CC(C1)CC2C3
O=C(c2cc1ccccc1oc2=O)n3cc(N(=O)=O)cn3	ZINC000000033376	O=C(c2cc1ccccc1oc2=O)n3cccn3
CCOC(=O)c2[nH]c(C)c(C(=O)Nc1ccc(OC)c(OC)c1)c2C	ZINC000000253738	O=C(Nc1ccccc1)c2cc[nH]c2
CN(C)Cc1ccccc1OC(=O)N(C)C	ZINC000000187893	c1ccccc1
COc1ccc(C)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F	ZINC000000341120	c1ccccc1
Cc3ccc2[nH]c1C(=O)CCc1c2c3	ZINC000000210083	O=C1CCc2c1[nH]c3ccccc23
CCC(=O)O[C@@H]3CC[C@H]4[C@@H]2CC[C@H]1CC(=O)C=C[C@]1(C)[C@H]2CC[C@]34C	ZINC000000000947	O=C4CC3CCC2C1CCCC1CCC2C3C=C4
CN4CCN(c3cc(n1nc(C)cc1c2ccccc2)ncn3)CC4	ZINC000000102157	C4CN(c3cc(n1nccc1c2ccccc2)ncn3)CCN4
O=C(Nc1ccccc1)c2cccc(=O)o2	ZINC000000107436	O=C(Nc1ccccc1)c2cccc(=O)o2
C[N+]13CCC(CC1)[C@](O)(c2ccccc2)C3=C	ZINC000000260940	C=C2C(c1ccccc1)C3CCN2CC3
CN(C)Cc1c(N)cccc1O	ZINC000000254626	c1ccccc1
Nc1cc(=O)[nH]nc1c2ccccc2	ZINC000000085436	O=c2ccc(c1ccccc1)n[nH]2
COC(=O)c2cnc(Sc1ccc(Cl)cc1)nc2C(F)(F)F	ZINC000000082384	S(c1ccccc1)c2ncccn2
CN(C)S(=O)(=O)N2CCN(c1ncccn1)CC2	ZINC000000023204	C2CN(c1ncccn1)CCN2
N#CCc2ccc1cc(CC#N)ccc1c2	ZINC000000068689	c2ccc1ccccc1c2
Cc3ccc(NC(=S)[C@@H](C#N)c2nc1cccnc1n2C)cc3	ZINC000000026616	S=C(Cc2nc1cccnc1[nH]2)Nc3ccccc3
C2CN(Cc1ccncc1)CCC2N4CCN(c3ccccc3)CC4	ZINC000000316521	C2CN(Cc1ccncc1)CCC2N4CCN(c3ccccc3)CC4
CCn1c(C)[n+](CC)c2cc(S(N)(=O)=O)ccc12	ZINC000000236035	c2ccc1[nH]cnc1c2
OC(=O)\C=c1/oc(=O)c2ccccc12	ZINC000000161316	C=c1oc(=O)c2ccccc12
Nc2cc(N)nc(SCC(=O)c1ccccc1)n2	ZINC000000351585	O=C(CSc1ncccn1)c2ccccc2
COC(=O)[C@H]1C[N@@](C)CC[C@]1(C)OC(=O)Oc2ccccc2	ZINC000000345614	O=C(OC1CCNCC1)Oc2ccccc2
Nc1ccccc1C(=O)NN2CCOCC2	ZINC000000037279	O=C(NN1CCOCC1)c2ccccc2
Clc2ccc(NC(=O)c1cc[nH]n1)cc2	ZINC000000028525	O=C(Nc1ccccc1)c2cc[nH]n2
Cn2c(c1ccc[n+](C)c1)nc3ccccc23	ZINC000000050725	c3cncc(c2nc1ccccc1[nH]2)c3
CCOc3ccc2nc(SCc1ccc(OC)cc1)sc2c3	ZINC000000068062	C(Sc2nc1ccccc1s2)c3ccccc3
CN(C)[C@H](Cn2c(=O)c1ccccc1c2=O)c3cn(C)c4ccccc34	ZINC000000494136	O=c3n(CCc1c[nH]c2ccccc12)c(=O)c4ccccc34
Cc3ccc(C(=O)C[C@@H](NCCc1c[nH]c2ccccc12)C(O)=O)cc3	ZINC000000049100	O=C(CCNCCc1c[nH]c2ccccc12)c3ccccc3
COc4cccc([C@@H]2C[C@@](C)(O)Oc3cc1OCOc1cc23)c4O	ZINC000000044422	C4CC(c1ccccc1)c3cc2OCOc2cc3O4
CNC(=O)Oc2ccc1[nH]cc(CCN)c1c2	ZINC000000517985	c2ccc1[nH]ccc1c2
O=C(CC#N)Nc1ccccc1	ZINC000000091628	c1ccccc1
Cn2c[n+](Cc1ccccc1)c3c(=O)n(C)c(=O)n(C)c23	ZINC000000383222	O=c3[nH]c(=O)c2[n+](Cc1ccccc1)c[nH]c2[nH]3
COc1ccc(CNC[C@@H](C)O)cc1OC	ZINC000000268966	c1ccccc1
CC(=O)c1ccc(N)cc1O	ZINC000000157818	c1ccccc1
O=c2oc(NCc1ccccc1)nc3ccccc23	ZINC000000006983	O=c2oc(NCc1ccccc1)nc3ccccc23
Clc3ccc(\C=N\c2ccc1OCCOc1c2)cc3N(=O)=O	ZINC000000059970	C3COc2cc(N=Cc1ccccc1)ccc2O3
Oc2ccc1ccccc1c2Br	ZINC000000001318	c2ccc1ccccc1c2
Clc1cccc2ccc(N(=O)=O)cc12	ZINC000000039953	c2ccc1ccccc1c2
C[N@]1C[C@H]2CC[C@@H]1C[C@@]23CC(C)=CC(=O)O3	ZINC000000001311	O=C1OC2(CC=C1)CC3CCC2CN3
FC(F)(F)Cn2c(=O)c1ccccc1c2=O	ZINC000000039959	O=c1[nH]c(=O)c2ccccc12
CN(C)CCC(=O)c1ccco1	ZINC000000036665	c1ccoc1
NC(=N)c1ccc(F)c(Cl)c1	ZINC000000089244	c1ccccc1
Cc4ccc(n2nc1C[S@@](=O)Cc1c2NC(=O)C3CCCC3)cc4	ZINC000000212237	O=C(Nc2c1CS(=O)Cc1nn2c3ccccc3)C4CCCC4
CN1C(=O)CC[C@@]1(C(O)=O)c2ccccc2	ZINC000000178393	O=C2CCC(c1ccccc1)N2
CCN(CC)C(N)N=N	ZINC000000011149	nonring
CN(N)C(=N)NCc1ccccc1	ZINC000000011148	c1ccccc1
NC2=N[C@@H]1CCCC[C@@H]1CS2	ZINC000000021201	C2CCC1N=CSCC1C2
C(=N\c1ccccc1)/c2ccco2	ZINC000000048216	C(=Nc1ccccc1)c2ccco2
CN(C)C(=O)C(=Cc2ccc(c1ccc(C(C)=O)cc1)o2)C#N	ZINC000000037491	c2ccc(c1ccco1)cc2
CC[C@@](Br)(C(C)C)C(N)=O	ZINC000000000378	nonring
CN(C)C(=O)c2sc(NC(=S)NC(=O)c1ccccc1)nc2C	ZINC000000375082	O=C(NC(=S)Nc1nccs1)c2ccccc2
CC[C@](O)(COC(N)=O)c1ccccc1	ZINC000000000375	c1ccccc1
NC12CC3(F)CC(F)(C1)CC(F)(C2)C3	ZINC000000007410	C1C2CC3CC1CC(C2)C3
C[C@@H](N)Cc1ccc(O)cc1	ZINC000000000373	c1ccccc1
NNc1ccc(C#N)cc1Cl	ZINC000000165088	c1ccccc1
C[C@@H]2CCC[N@@](CCS(=O)(=O)c1ccccc1)C2	ZINC000000165089	O=S(=O)(CCN1CCCCC1)c2ccccc2
CCN3CCN(c2ccc(NC(=O)c1cccnc1Cl)cc2)CC3	ZINC000000342347	O=C(Nc2ccc(N1CCNCC1)cc2)c3cccnc3
CCCN(CCC)C(=O)c1ccc(OC(C)=O)cc1	ZINC000000030051	c1ccccc1
CN(C(=O)c1ccc(=O)[nH]c1)C3(C(=O)NC2CCCC2)CCCCC3	ZINC000000212649	O=C(NC2(C(=O)NC1CCCC1)CCCCC2)c3ccc(=O)[nH]c3
COC(=O)c2cc(Br)c(=O)n(CCN1CCCCC1)c2	ZINC000000536063	O=c1ccccn1CCN2CCCCC2
CN3CCc2cc1OCOc1cc2[C@@H]3O	ZINC000000114386	C3Cc2cc1OCOc1cc2CN3
CC(C)[C@@H](N)C(=O)NC1CCCCC1	ZINC000000252372	C1CCCCC1
CCOC(=O)CC[N@]2CCc1cc(OC)c(OC)cc1C2	ZINC000000517736	C2Cc1ccccc1CN2
NCc1cc(Cl)ccc1Cl	ZINC000000167027	c1ccccc1
c3cncc(c2cc1ccccc1[nH]2)c3	ZINC000000050695	c3cncc(c2cc1ccccc1[nH]2)c3
COc4ccc([C@@H]2NC(c1ccc(OC)cc1)=N[C@H]2c3ccc(OC)cc3)cc4	ZINC000000586999	N3C(c1ccccc1)C(c2ccccc2)N=C3c4ccccc4
CN(C)Cc2cc1ccccc1[nH]2	ZINC000000050698	c2ccc1[nH]ccc1c2
Nc1cc(F)c(C(F)(F)F)c(F)c1	ZINC000000116711	c1ccccc1
CN(C)C(C)(C)CO	ZINC000000388586	nonring
CC2(C)OC(=O)N(NCc1ccccc1)[C@@]2(C)O	ZINC000000052760	O=C1OCCN1NCc2ccccc2
Cc3nn(C1CCCC1)c4nc(c2ccncc2)[nH]c(=O)c34	ZINC000000006232	O=c3[nH]c(c1ccncc1)nc4n(C2CCCC2)ncc34
Nc1c(F)c(F)c(C#N)c(F)c1F	ZINC000000120149	c1ccccc1
Cc3ccc2n(C)c1CC[N+](C)(C)Cc1c2c3	ZINC000000142455	C3Cc2[nH]c1ccccc1c2CN3
Cc2ccc1nsnc1c2NC(=O)COc3ccc(Cl)cc3C	ZINC000000097738	O=C(COc1ccccc1)Nc2cccc3nsnc23
Nc2nc(F)cc(Oc1ccc(I)cc1)n2	ZINC000000033290	O(c1ccccc1)c2ccncn2
Cc3ccc([C@@H]2NC(=O)c1ccccc1O2)cc3	ZINC000000050966	O=C2NC(c1ccccc1)Oc3ccccc23
Fc3ccc(Sc2c(F)c(F)nc(N1CCNCC1)c2F)cc3	ZINC000000034600	C3CN(c2cc(Sc1ccccc1)ccn2)CCN3
CCOc2cc1CCN[C@H](C(CC)CC)c1cc2OCC	ZINC000000034606	C2Cc1ccccc1CN2
COc3ccc(C1=[N+](C)CCn2cccc12)c(OC)c3	ZINC000000387020	C3Cn1cccc1C(c2ccccc2)=N3
CC3(C)C[C@@H](n1ccccc1=O)c2cc(C#N)ccc2O3	ZINC000000024980	O=c1ccccn1C2CCOc3ccccc23
C[C@@]1(O)C[C@H]2CC[C@@H]1C=C2	ZINC000001664373	C1CC2CCC1C=C2
S=C2N=NC(c1ccccn1)N2Cc3ccccc3	ZINC000000011853	S=C2N=NC(c1ccccn1)N2Cc3ccccc3
NC(=S)c2cccc(n1cccc1)c2	ZINC000000118652	c2ccc(n1cccc1)cc2
Cc1ncccc1O	ZINC000000153239	c1ccncc1
Fc2cccc(Cn1nc[nH]c1=S)c2	ZINC000000003776	S=c1[nH]cnn1Cc2ccccc2
Nc2c1CCCOc1nc3cccc(F)c23	ZINC000000110013	C3COc2nc1ccccc1cc2C3
NNC(=S)N[C@H]1C[C@H]2C[C@@H]1C=C2	ZINC000000110011	C1CC2CC1C=C2
CC[C@H](Oc1ccccc1)C(=O)Nc2nc(C)c(C(=O)N(C)C)s2	ZINC000000355929	O=C(COc1ccccc1)Nc2nccs2
CSc1nnc(SC)n1NC(=N)c2cccc(C(F)(F)F)c2	ZINC000000119925	N=C(Nn1cnnc1)c2ccccc2
NNc2nc(c1ccncc1)nc3ccccc23	ZINC000000078197	c3ccc2nc(c1ccncc1)ncc2c3
NC(=O)c1ccsc1N	ZINC000000078193	c1ccsc1
NCc1cccc(F)c1	ZINC000000152271	c1ccccc1
Nc2nc(c1ccncc1)cc(=O)[nH]2	ZINC000000025651	O=c2cc(c1ccncc1)nc[nH]2
CCOC(=O)NC(=S)N1CCCC1	ZINC000000172716	C1CCNC1
COc2cc(CNCc1cccnc1)cc(OC)c2	ZINC000000293229	C(NCc1cccnc1)c2ccccc2
Cc3ccc([C@@H]1SCC(=O)N1CCN2CCCCC2)cc3	ZINC000000072762	O=C2CSC(c1ccccc1)N2CCN3CCCCC3
CN(C)CCCN2CCN(c1ccc(NC(C)=O)cc1)CC2	ZINC000000001951	C2CN(c1ccccc1)CCN2
CCc4ccc(OCc1ccccc1C(=O)Nc3ccc2nc(C)cc(N)c2c3)cc4	ZINC000000602902	O=C(Nc2ccc1ncccc1c2)c3ccccc3COc4ccccc4
COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c2ccc(OC)cc2	ZINC000000264518	N2C=CC(c1ccccc1)C=C2
Cc2ccc(=O)n(c1ccccc1)c2	ZINC000000001958	O=c1ccccn1c2ccccc2
N=C1NCCN1c2ccccc2	ZINC000000139150	N=C1NCCN1c2ccccc2
CCC2CCC(C(=O)N[C@H](C(C)C)C(=O)NCc1cccnc1)CC2	ZINC000000248131	O=C(CNC(=O)C1CCCCC1)NCc2cccnc2
CS(=O)(=O)c1ccc(F)c(N)c1	ZINC000000153902	c1ccccc1
C[S@@](=O)Cc1ccccc1	ZINC000000013561	c1ccccc1
Nc2ccc1[nH]ccc1c2	ZINC000000153906	c2ccc1[nH]ccc1c2
Cn1cccc1\C=c2\c(=O)[nH]c(=O)n(C)c2=O	ZINC000000033498	O=c2[nH]c(=O)c(=Cc1ccc[nH]1)c(=O)[nH]2
CC(=O)Oc2ccc(C(=O)Nc1cccc(C(F)(F)F)c1)cc2	ZINC000000049661	O=C(Nc1ccccc1)c2ccccc2
OC[C@@H]2O[C@H](n1ccc(NO)nc1=O)C[C@H]2F	ZINC000000011703	O=c1ncccn1C2CCCO2
NC(=N)c1ccc(C(F)(F)F)cn1	ZINC000000124345	c1ccncc1
Cc1c(C=O)oc2ccccc12	ZINC000000035262	c2ccc1occc1c2
Cc1c(C#N)oc2ccccc12	ZINC000000035261	c2ccc1occc1c2
CNc2nn1nnnc1c3ccccc23	ZINC000000032545	c1ccc2c(c1)cnn3nnnc23
CCN(CC)C(=O)N[C@@H]4C[C@@H]1[C@H](Cc2c[nH]c3cccc1c23)N(C)C4	ZINC000000002136	C2CNC1Cc3c[nH]c4cccc(C1C2)c34
O=c/2[nH]c1ccccc1c\2=c4\sc3=NCCCn3c4=O	ZINC000000032549	O=c2[nH]c1ccccc1c2=c4sc3=NCCCn3c4=O
Nc2cccc(c1cnco1)c2	ZINC000000106648	c2ccc(c1cnco1)cc2
Fc1cccc2SCCNCc12	ZINC000000018485	C2CSc1ccccc1CN2
Cc2nn(Cc1ccccc1)c(=S)[nH]c2=O	ZINC000000052446	O=c2cnn(Cc1ccccc1)c(=S)[nH]2
Clc1cccc(=O)[nH]1	ZINC000000330801	O=c1cccc[nH]1
NCCc2c[nH]c3ccc(OCc1ccccc1)cc23	ZINC000000057128	C(Oc2ccc1[nH]ccc1c2)c3ccccc3
CN(C)C[C@@]2(O)C1CN4CC[N@](C1)CC2(c3ccccc3)C4	ZINC000019773779	C1CN4CC3CN1CC(c2ccccc2)(C3)C4
CCOC(=O)c2cnn(c1ccc(N)cc1)c2C(F)(F)F	ZINC000000082730	c2ccc(n1cccn1)cc2
C[n+]2ccc(c1ccncc1)cc2	ZINC000000287868	c2cc(c1ccncc1)ccn2
Cc2cccc(NC(=O)\C=C\c1ccccc1)n2	ZINC000000033146	O=C(Nc1ccccn1)C=Cc2ccccc2
C=CCn1cncn1	ZINC000000051189	c1nc[nH]n1
Cc3noc(c2ccc1OCOc1c2)c3I	ZINC000000033142	C3Oc2ccc(c1ccno1)cc2O3
Cc1nc(CCN)n[nH]1	ZINC000000051185	c1nc[nH]n1
CN(/N=C/c1ccc(C)o1)C2=NCCN2	ZINC000000255709	C2CN=C(NN=Cc1ccco1)N2
COc3cc(c2nc1ccccc1s2)ccc3OCC(=O)Nc4ccc(C)cc4	ZINC000000624317	O=C(COc3ccc(c2nc1ccccc1s2)cc3)Nc4ccccc4
CC(=O)N1CC(=O)NC1=S	ZINC000000051183	O=C1CNC(=S)N1
Oc2ccc1[n+](CC#C)cccc1c2	ZINC000000270705	c2ccc1ncccc1c2
CCC(=O)Nc2ccc(N1CCN(C)CC1)cc2	ZINC000000515008	C2CN(c1ccccc1)CCN2
Fc2cc(Cl)c(C(=O)Nc1ccc(Br)cn1)cc2F	ZINC000000036040	O=C(Nc1ccccn1)c2ccccc2
CCOC(=O)C2CCN(Cc1sccc1C)CC2	ZINC000000240242	C2CCN(Cc1cccs1)CC2
CN(C)CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000000219447	C1CCNCC1
NNc2ncc(F)c(N1CCOCC1)n2	ZINC000000039725	C2CN(c1ccncn1)CCO2
CCOC(=O)Cc2cn1CCN=c1s2	ZINC000000039893	C2Cn1ccsc1=N2
CC(C)(O)C#C[C@@H](O)c1cccnc1	ZINC000000058343	c1ccncc1
Cn2c(c1ccccn1)[n+](C)c3ccccc23	ZINC000000279151	c3ccc(c2nc1ccccc1[nH]2)nc3
COc1ccc(S(=O)(=O)C=C)cc1N	ZINC000000061506	c1ccccc1
Cc1cc(CN)no1	ZINC000000158683	c1cnoc1
COc2ccc(N1CCCC1=O)cc2	ZINC000000050369	O=C1CCCN1c2ccccc2
Cc1ccc(Cl)cc1N3C(c2cccc(N(=O)=O)c2)N=NC3=S	ZINC000000221609	S=C2N=NC(c1ccccc1)N2c3ccccc3
Cc1cc(C)[n+](C)cn1	ZINC000000331043	c1cncnc1
COc2ccc(C(=O)Cc1ccc(OC)c(OC)c1)c(O)c2	ZINC000000058167	O=C(Cc1ccccc1)c2ccccc2
O=C(Cn1ccnc1)c3ccc2ccccc2c3	ZINC000000001766	O=C(Cn1ccnc1)c3ccc2ccccc2c3
Cc2ccc1ccccc1c2CON	ZINC000000001767	c2ccc1ccccc1c2
COc1cc(C)ccc1S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2	ZINC000000384609	O=S(=O)(NC1CCNCC1)c2ccccc2
Oc1c(C#N)c(C#N)c(O)c2ccccc12	ZINC000000155089	c2ccc1ccccc1c2
C[N+](C)(C)Cc2ccc(C(=O)c1ccccc1)cc2	ZINC000000155088	O=C(c1ccccc1)c2ccccc2
NC(=O)c3cc2c(Oc1ccc(Br)cc1)cncc2s3	ZINC000000026008	O(c1ccccc1)c2cncc3sccc23
CCn1nccc1C(=O)n2nc(C)c(Cl)c2C	ZINC000000037397	O=C(c1ccn[nH]1)n2cccn2
O=C1C[C@@H]2CCC[C@H](C1)[N@]2Cc3ccccc3	ZINC000000170627	O=C1CC2CCCC(C1)N2Cc3ccccc3
C4CN=C([C@H]1CC1(c2ccccc2)c3ccccc3)N4	ZINC000000000145	C4CN=C(C1CC1(c2ccccc2)c3ccccc3)N4
C[C@H](C(O)=O)c3ccc2c(Cc1ccccc12)c3	ZINC000000000144	C2c1ccccc1c3ccccc23
O[C@]4(c1cccc(Cl)c1)C2=NCCCN2c3ccccc34	ZINC000000000142	C4CN=C3C(c1ccccc1)c2ccccc2N3C4
COC(=O)c2cnn3c(C(F)(F)F)cc(c1ccccc1)nc23	ZINC000000035757	c3ccc(c2ccn1nccc1n2)cc3
COc1ccccc1NC(=O)CSc2ccc(Cl)cc2Cl	ZINC000000141822	O=C(CSc1ccccc1)Nc2ccccc2
Cc1cccnc1NC[C@@H](O)COc2ccccc2	ZINC000000141824	C(CNc1ccccn1)COc2ccccc2
C[C@H](CCN(C)C)Nc1cc(O)cc2cccnc12	ZINC000000000148	c2ccc1ncccc1c2
CNC[C@@H](O)c1ccccc1	ZINC000000393339	c1ccccc1
Cc1ccc(Cl)cc1O	ZINC000000158233	c1ccccc1
C2CCN(c1nn[nH]n1)CC2	ZINC000000088908	C2CCN(c1nn[nH]n1)CC2
Fc3ccc(NC(=O)CSc1nnc2ccccn12)cc3	ZINC000000055976	O=C(CSc1nnc2ccccn12)Nc3ccccc3
NC(=O)c2ccc[n+](Cc1ccccn1)c2	ZINC000000297644	C(c1ccccn1)[n+]2ccccc2
COc2cccc([n+]1noc(=O)[nH]1)c2	ZINC000000050758	O=c2[nH][n+](c1ccccc1)no2
Cc1ccccc1NC(=O)c3ccc(F)c(S(=O)(=O)NC2CC2)c3	ZINC000000216209	O=C(Nc1ccccc1)c3cccc(S(=O)(=O)NC2CC2)c3
C[C@H]1CC(=O)NN=C1c2ccc(NN=C(C#N)C#N)cc2	ZINC000000004689	O=C2CCC(c1ccccc1)=NN2
CCN(CC)c2ccc(/N=C/c1ccc(Br)s1)cc2	ZINC000000046321	C(=Nc1ccccc1)c2cccs2
COc1ccccc1CNC(=O)c2ccc(NC(C)=O)cc2	ZINC000000060670	O=C(NCc1ccccc1)c2ccccc2
CC(=O)Nc3ccc(C(=O)NC(c1ccccc1)c2ccccc2)cc3	ZINC000000060677	O=C(NC(c1ccccc1)c2ccccc2)c3ccccc3
CCOC(=O)n1cc(F)c(=O)[nH]c1=O	ZINC000000007889	O=c1cc[nH]c(=O)[nH]1
c2cc[n+](c1ccncc1)cc2	ZINC000000155884	c2cc[n+](c1ccncc1)cc2
CCOC(=O)CN1CCCCC1	ZINC000000155331	C1CCNCC1
CCc2cc1nc(C)cc(C)n1[o+]2	ZINC000000408852	c2cnc1cc[o+]n1c2
FC(F)(F)c1cc(N(=O)=O)ccc1SCc2ccc(Cl)cc2	ZINC000000090396	C(Sc1ccccc1)c2ccccc2
CC(C)Sc2oc(c1ccco1)nc2S(=O)(=O)c3ccccc3	ZINC000000201154	O=S(=O)(c1ccccc1)c3coc(c2ccco2)n3
COc1cccc(CN)c1OC	ZINC000000406937	c1ccccc1
CC(=O)N[C@H]1CCc2ccccc12	ZINC000000006421	C2Cc1ccccc1C2
COc3cc2CC[C@H]1CCN[C@@H]1c2cn3	ZINC000000006424	C3CC2CCc1ccncc1C2N3
O[C@@H]1CCn3c1nc2ccccc2c3=O	ZINC000000265484	O=c2n1CCCc1nc3ccccc23
COc4ccc3n2C[C@@H](O)CN=C1CCCc(c12)c3c4	ZINC000000086999	C2CN=C1CCCc3c1n(C2)c4ccccc34
CC(C)[C@@](C)(NC(=O)c1cccnc1Oc2ccc(F)cc2)C(N)=O	ZINC000000052207	O(c1ccccc1)c2ccccn2
CC(C)(C)n1cn[n+](CC=C)n1	ZINC000000052204	c1nnn[nH]1
COc2cc(CN1CCN(CCN)CC1)cc(OC)c2	ZINC000019933517	C2CN(Cc1ccccc1)CCN2
CN3CCC(c1c[nH]c2ccc(O)cc12)CC3	ZINC000000007339	C3CC(c1c[nH]c2ccccc12)CCN3
COc2ccc([C@@H](O)Cc1nccn1C)cc2	ZINC000000378165	C(Cc1ncc[nH]1)c2ccccc2
CSc1c(CC(O)=O)n(C)c2ccccc12	ZINC000000052645	c2ccc1[nH]ccc1c2
CN(CCc1ccccc1)CCS(=O)(=O)c2ccc(F)cc2	ZINC000000016708	O=S(=O)(CCNCCc1ccccc1)c2ccccc2
C3Cn1cccc1[C@H](CCc2ccco2)N3	ZINC000000031394	C3Cn1cccc1C(CCc2ccco2)N3
Cc2[nH]n1c(=O)[nH]c(=O)nc1c2C	ZINC000712031641	O=c2nc1cc[nH]n1c(=O)[nH]2
O=C1CCCC[C@@H]1C#N	ZINC000000154063	O=C1CCCCC1
CSc3nc(c1ccccc1)nc(c2ccccc2OC(C)=O)n3	ZINC000000044245	c3ccc(c2ncnc(c1ccccc1)n2)cc3
CSc4nnc3c(O[C@H](c1cccs1)Nc2ccc(C)cc23)n4	ZINC000000035721	N3C(c1cccs1)Oc2ncnnc2c4ccccc34
NCc1ccc(Cl)cc1F	ZINC000000157012	c1ccccc1
CN3CCN(NC(=O)c2sc1ccccc1c2Cl)CC3	ZINC000000334738	O=C(NN1CCNCC1)c3cc2ccccc2s3
CCOc2ccc(S(=O)(=O)NCc1ccco1)c3ccccc23	ZINC000000051407	O=S(=O)(NCc1ccco1)c2cccc3ccccc23
CC(C)NC[C@@H](O)c1ccc(N)c(C#N)c1	ZINC000000002307	c1ccccc1
Fc3ccc(NC(=O)N2CCN(CCc1ccccc1)CC2)cc3	ZINC000000146033	O=C(Nc1ccccc1)N3CCN(CCc2ccccc2)CC3
CN(C)CCNC(=O)C3CCN(c2nc1ccccc1o2)CC3	ZINC000000218568	C3CCN(c2nc1ccccc1o2)CC3
CN2CCN(c1ccc(CN)cc1)CC2	ZINC000000158909	C2CN(c1ccccc1)CCN2
c2ccc1snnc1c2	ZINC000000031178	c2ccc1snnc1c2
C[C@@]2(c1ccccc1)NC(=O)NC2=O	ZINC000000119710	O=C2NC(c1ccccc1)C(=O)N2
CCc4ccc(\C=c3\sc2nc(c1ccc(C)cc1)nn2c3=O)cc4	ZINC000000199613	O=c3c(=Cc1ccccc1)sc4nc(c2ccccc2)nn34
O=C(N2CCC(c1cnc[nH]1)CC2)c3ccccc3	ZINC000000017073	O=C(N2CCC(c1cnc[nH]1)CC2)c3ccccc3
CC[N@]1CC=C3[C@H](C1)[C@@H](c2ccncc2)C(C#N)=C(N)C3(C#N)C#N	ZINC000000483828	C3NCC2C(c1ccncc1)C=CCC2=C3
COC(=O)c1ccsc1NC(=O)c2cncc(Br)c2	ZINC000000115928	O=C(Nc1cccs1)c2cccnc2
CN3C(=O)C[C@H](N2CCC(N1CCCCC1)(C(N)=O)CC2)C3=O	ZINC000000127739	O=C3CC(N2CCC(N1CCCCC1)CC2)C(=O)N3
CN(C)CCCn3c1ccccc1c(c2ccccc2)nc4cccnc34	ZINC000000538416	c4ccc(c2nc1cccnc1[nH]c3ccccc23)cc4
C[C@@H]1N[C@H](C(O)=O)CS1	ZINC000000039480	C1CSCN1
CC(C)n3c(=O)n(Cc2nc1ccccc1n2CCN(C)C)c4ccccc34	ZINC000000594344	O=c2[nH]c1ccccc1n2Cc4nc3ccccc3[nH]4
Cc2cc(C)nc(NCCc1ccc(O)c(O)c1)n2	ZINC000000024799	C(Cc1ccccc1)Nc2ncccn2
CCc1ccccc1NNC(N)=S	ZINC000000069531	c1ccccc1
C3CCN(CCSc1nnnn1c2ccccc2)CC3	ZINC000000188469	C3CCN(CCSc1nnnn1c2ccccc2)CC3
NCc1cccc(I)c1	ZINC000000388032	c1ccccc1
CCOC(=O)c2c(N)c1nonc1nc2c3ccccc3	ZINC000000032158	c3ccc(c2ccc1nonc1n2)cc3
CC2(C)CC(N1CCC(=O)NC1=S)CC(C)(C)N2	ZINC000000053123	O=C2CCN(C1CCNCC1)C(=S)N2
Oc1cccc(Br)c1	ZINC000000388034	c1ccccc1
CC(C)(C)NC(=S)NC2CCN(Cc1ccccc1)CC2	ZINC000000128555	C2CCN(Cc1ccccc1)CC2
Fc3ccc(COc1ccnc2cc(C(F)(F)F)ccc12)cc3	ZINC000000042969	C(Oc1ccnc2ccccc12)c3ccccc3
CN3[C@@H](CCNC(=O)c1cccs1)CN=C(c2ccccc2)c4ccccc34	ZINC000000593691	O=C(NCCC3CN=C(c1ccccc1)c2ccccc2N3)c4cccs4
CCOC(=O)[C@@]3(C#N)[C@@H](c1ccccc1)[C@@H]2CCCCC2=C(C#N)C3=O	ZINC000000028091	O=C3CC(c1ccccc1)C2CCCCC2=C3
Cn2c(c1cccnc1)[n+](C)c3ccccc23	ZINC000000041370	c3cncc(c2nc1ccccc1[nH]2)c3
Cc1ccccc1NC(=O)CSc3nnc(c2ccccc2)n3c4ccccc4	ZINC000000622439	O=C(CSc2nnc(c1ccccc1)n2c3ccccc3)Nc4ccccc4
O[C@H](CN1CCCCC1)Cn2cc(N(=O)=O)cn2	ZINC000000331816	C2CCN(CCCn1cccn1)CC2
C[C@@H](C(=O)c1ccccc1)[C@@]3(O)C(=O)N(CC(N)=O)c2ccccc23	ZINC000000299970	O=C(CC1C(=O)Nc2ccccc12)c3ccccc3
C[N@]1[C@H]4CCC[C@@H]1CC(NC(=O)c3cc(C)n(c2ccccc2)n3)C4	ZINC000000005650	O=C(NC1CC2CCCC(C1)N2)c4ccn(c3ccccc3)n4
Cc3ccc([C@@H](CC(=O)c1ccco1)Sc2ccccc2N)cc3	ZINC000000239424	O=C(CC(Sc1ccccc1)c2ccccc2)c3ccco3
Cc2ccc(N[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl)cc2	ZINC000000046665	O=C(NCNc1ccccc1)c2ccco2
CNC3=Nc1ccc(Cl)cc1C(c2ccc[nH]2)=NC3	ZINC000000005304	C3C=Nc1ccccc1C(c2ccc[nH]2)=N3
CC(C)NC[C@@H](O)COc1cccn2nccc12	ZINC000000005305	c2ccn1nccc1c2
O=c2cc(c1ccccc1)[nH]c(=O)[nH]2	ZINC000000083106	O=c2cc(c1ccccc1)[nH]c(=O)[nH]2
Cc2nc(c1cccnc1)nc(NN)c2Cl	ZINC000000162839	c2cnc(c1cccnc1)nc2
C[C@@H](O)CN(C[C@@H](C)O)C[C@@H]1CCC=CC1	ZINC000000278498	C1CCC=CC1
COC(=O)C5=CO[C@H](C)[C@H]4C[N@]3CCc1c([nH]c2ccccc12)[C@H]3C[C@H]45	ZINC000000607697	C4Cc1c([nH]c2ccccc12)C5CC3C=COCC3CN45
COc2cc(CNCc1ccc(C)cc1)cc(OC)c2	ZINC000000182173	C(NCc1ccccc1)c2ccccc2
CC3=C[C@@](O)(C(F)(F)F)N(c2nc1ccccc1s2)N3	ZINC000000174524	C1C=CNN1c3nc2ccccc2s3
O=C2N[C@@H](c1ccncc1)Nc3ccccc23	ZINC000000065290	O=C2NC(c1ccncc1)Nc3ccccc23
CC(C=NN2C(c1ccco1)N=NC2=S)=Cc3ccco3	ZINC000000028895	S=C2N=NC(c1ccco1)N2N=CC=Cc3ccco3
Cc3ccc(CN2CCN(Cc1ccccc1N(=O)=O)CC2)cc3	ZINC000000121067	C2CN(Cc1ccccc1)CCN2Cc3ccccc3
CS(=O)(=O)c1ccc(Br)cc1	ZINC000000075328	c1ccccc1
CCc2nn(C1CCCC1)c4c2CCn5c(c3ccsc3)nnc45	ZINC000000021911	C5CCC(n4ncc3CCn2c(c1ccsc1)nnc2c34)C5
Cc2cc(N1CC[C@@H](N)C1)cnc2Cl	ZINC000000026491	C2CCN(c1cccnc1)C2
Cc2ccc1cc(F)ccc1[n+]2C	ZINC000000150357	c2ccc1ncccc1c2
COC(=O)c2ccc(C[n+]1ccccc1)cc2	ZINC000000321223	C(c1ccccc1)[n+]2ccccc2
O[C@@H]([C@H]1C[C@@H]2CC[N@]1C[C@H]2C=C)c3ccnc4ccccc34	ZINC000000001153	C1CN2CCC1CC2Cc3ccnc4ccccc34
COc1cc(N)c(Cl)cc1C(=O)NCC[N@@](C)C2CC2	ZINC000000004300	O=C(NCCNC1CC1)c2ccccc2
COC(=O)C3[C@@H](c1cc(OC)cc2ccccc12)NC(=O)N=C3C	ZINC000000044405	O=C3NC(c1cccc2ccccc12)CC=N3
CNC[C@@H](O)c2ccc1cc[nH]c1c2	ZINC000000185685	c2ccc1[nH]ccc1c2
CCOC(=O)c2cnc1ccc(F)cc1c2NCCN(C)C	ZINC000000145926	c2ccc1ncccc1c2
C[C@@H]2[C@H](c1ccccc1)[N@@](C)CCC2(NC(C)=O)NC(C)=O	ZINC000000185341	C2CCC(c1ccccc1)NC2
CCO[C@]3(C1=NCCN1)COc2ccccc2O3	ZINC000000005879	C3CN=C(C2COc1ccccc1O2)N3
CC(=O)Nc3ccc(C)c(n2c(=O)c1ccccc1c2=O)c3	ZINC000000059953	O=c2n(c1ccccc1)c(=O)c3ccccc23
Oc2ccc1C4=[N+](CCc1c2)[C@H]3CCC[C@@H]3CC4	ZINC000000000685	C4CC3CCC1=[N+](CCc2ccccc12)C3C4
COc1ccc(C(=O)CCN(C)C)c(F)c1	ZINC000000245559	c1ccccc1
C[C@H](Sc1ccccn1)C(=O)Nc2c(C)cc(C)cc2C	ZINC000000036257	O=C(CSc1ccccn1)Nc2ccccc2
Fc2ccc(C=c1[nH]c(=S)[nH]c1=O)cc2	ZINC000000039973	O=c1[nH]c(=S)[nH]c1=Cc2ccccc2
CCN2CCN(C(=S)c1ccc(OC)cc1)CC2	ZINC000000093761	S=C(N1CCNCC1)c2ccccc2
Clc1ccc4c(c1)C(c2ccccc2)=NCc3nncn34	ZINC000000001370	C3N=C(c1ccccc1)c2ccccc2n4cnnc34
COc3ccc(Cn2nnc(C(=O)Nc1ccc(F)cc1)c2N)cc3	ZINC000000099714	O=C(Nc1ccccc1)c3cn(Cc2ccccc2)nn3
Cc1ncc(CN)c(N)n1	ZINC000000336542	c1cncnc1
Nc1ccc(F)cc1	ZINC000000013613	c1ccccc1
CN(C)S(=O)(=O)c1c(C)cc(C)cc1C	ZINC000000029070	c1ccccc1
COc2cccc(CCN1CCCC1)c2N	ZINC000000154212	C2CCN(CCc1ccccc1)C2
CC(=O)c2ccc(N1CCNCC1)cc2	ZINC000000029076	C2CN(c1ccccc1)CCN2
CCN(CC)C(N)=C(N=Nc1ccc(C)cc1)C#N	ZINC000000067827	c1ccccc1
OC2(c1ccc(Cl)cc1)CCNCC2	ZINC000000132448	C2CC(c1ccccc1)CCN2
O=C(N4CCN(C2C1CC3CC(C1)CC2C3)CC4)c5ccccc5	ZINC000000433494	O=C(N4CCN(C2C1CC3CC(C1)CC2C3)CC4)c5ccccc5
C[N@]1C[C@H]2C[C@@H]1CN2c3cnccn3	ZINC000000020795	C1NC3CC1N(c2cnccn2)C3
COc2ccc([C@@H]1SCC(=O)N1CCCN(C)C)cc2	ZINC000000196390	O=C2CSC(c1ccccc1)N2
CN(C)CCCN2[C@@H](c1cccc(Cl)c1)SCC2=O	ZINC000000196396	O=C2CSC(c1ccccc1)N2
Cc1ccc(NC(=O)CC(C)(C)C)cc1	ZINC000000030709	c1ccccc1
CN(C)S(=O)(=O)NCc1ccccc1	ZINC000000030705	c1ccccc1
Nc2nc(c1ccc(F)c(F)c1)cs2	ZINC000000092387	c2ccc(c1cscn1)cc2
Clc3ccc2nc(N1CCCNCC1)sc2c3	ZINC000000066233	C3CNCCN(c2nc1ccccc1s2)C3
COc3ccc(COC[C@@H](O)CNC2Cc1ccccc1C2)cc3	ZINC000000119013	C(CNC2Cc1ccccc1C2)COCc3ccccc3
CC(=O)C1=C(C)NC(=S)N[C@@H]1c2ccc(O)cc2	ZINC000000063608	S=C2NC=CC(c1ccccc1)N2
O=C2NCC[C@H]1CNC(=O)[C@H]12	ZINC000000003976	O=C2NCCC1CNC(=O)C12
COc2ccc(OC[C@@H](O)C[N@]1CCCC[C@H]1C)cc2	ZINC000000167003	C2CCN(CCCOc1ccccc1)CC2
CC(C)(C)CC(C)(C)NC(N)=N	ZINC000000000356	nonring
Cn3cc[n+](c2cccc([n+]1ccn(C)c1)c2C#N)c3	ZINC000001399830	c3cc([n+]1cc[nH]c1)cc([n+]2cc[nH]c2)c3
S=C(N1CCOCC1)c2ccccc2	ZINC000000040404	S=C(N1CCOCC1)c2ccccc2
COc2ccc1CCCC(=O)Nc1c2	ZINC000000040405	O=C2CCCc1ccccc1N2
COC(=O)[C@@H](C)Oc2ccc1ccccc1c2Cl	ZINC000000000428	c2ccc1ccccc1c2
COC(=O)c1cc(Br)c[n+](C)c1	ZINC000000335014	c1ccncc1
O[C@H]1C[C@@H]3CC[C@H]1[N@@](Cc2ccccc2)C3	ZINC000000173605	C1CC2CCC1CN2Cc3ccccc3
CN(C[P@@](O)(=O)CN1CCCC1=O)C(C)=O	ZINC000000056226	O=C1CCCN1
CNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000000015752	c1ccccc1
CN(C)C[C@@H](O)[C@H]1CCOC(C)(C)C1	ZINC000000374801	C1CCOCC1
Clc1ccc(N(=O)=O)cc1C(=O)N2CCc3ccccc23	ZINC000000043171	O=C(N1CCc2ccccc12)c3ccccc3
CC[C@@H](O)c2ccc(OC[C@@H](O)CN1CCCCC1)c(OC)c2	ZINC000000238695	C2CCN(CCCOc1ccccc1)CC2
O=C2CN(c1ccccc1)C=NN2	ZINC000000051898	O=C2CN(c1ccccc1)C=NN2
CCN(CC)c2ccc(NC(=O)c1ccc(OC)c(OC)c1)cc2C	ZINC000000051893	O=C(Nc1ccccc1)c2ccccc2
CCS(=O)(=O)Nc2c(C)n(C)n(c1ccccc1)c2=O	ZINC000000064582	O=c1cc[nH]n1c2ccccc2
Cc1oc(N)c(C(N)=O)c1C	ZINC000000128732	c1ccoc1
OCc1ncccc1O	ZINC000000102611	c1ccncc1
OCC[N@@](Cc1ccccc1)Cc2ccc(F)c(F)c2	ZINC000000217097	C(NCc1ccccc1)c2ccccc2
Cc1cc(C)n(C)c(=O)c1C(=O)Nc2ccccc2Cl	ZINC000000034621	O=C(Nc1ccccc1)c2ccc[nH]c2=O
O=C(CCn2c(=O)c1ccccc1c2=O)N3CCCCC3	ZINC000000042809	O=C(CCn2c(=O)c1ccccc1c2=O)N3CCCCC3
Clc1ccccc1NC(=O)N2CCCCC2	ZINC000000028360	O=C(Nc1ccccc1)N2CCCCC2
CC(C)(C)NCc1ccc(F)cc1F	ZINC000000009953	c1ccccc1
CC(C)N(C(C)C)C(=O)c1ccccc1	ZINC000000028308	c1ccccc1
C[n+]1ccccc1c2ccccn2	ZINC000000343329	c2ccc(c1ccccn1)nc2
O[C@H]1CCCCCCCCC1=O	ZINC000000391639	O=C1CCCCCCCCC1
Nc2c1COCCc1nc3ccccc23	ZINC000000024965	C3Cc2nc1ccccc1cc2CO3
COc1cc(N)c(Cl)cc1C(=O)NC3CCN(Cc2ccccc2)CC3	ZINC000000608261	O=C(NC2CCN(Cc1ccccc1)CC2)c3ccccc3
C2CCN(C1=NCCS1)CC2	ZINC000000172809	C2CCN(C1=NCCS1)CC2
NC(=O)C5(N1CCCCC1)CCN(CCCN3c2ccccc2CCc4ccc(Cl)cc34)CC5	ZINC000000608266	C5CCN(C4CCN(CCCN2c1ccccc1CCc3ccccc23)CC4)CC5
COc3cc2[C@@H](C)N(C(=O)CN1CCCCC1)CCc2cc3O	ZINC000000525714	O=C(CN1CCCCC1)N3CCc2ccccc2C3
O=C2CSC(N1CCOCC1)=N2	ZINC000000088101	O=C2CSC(N1CCOCC1)=N2
CCOC(=O)C(=C/c1ccc(Cl)cc1)/C#N	ZINC000000028243	c1ccccc1
Nc1ccc(C#N)cc1N	ZINC000000166836	c1ccccc1
COc1ccccc1CC(=O)N3CCN(c2cccc(Cl)c2)CC3	ZINC000000060804	O=C(Cc1ccccc1)N3CCN(c2ccccc2)CC3
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c2cc(OC)ccc2OC	ZINC000000223165	N2C=CC(c1ccccc1)C=C2
Cc1cc(C)c(NC(N)=O)cc1C	ZINC000000070320	c1ccccc1
O=S(=O)(N[C@@H]1CCCC[C@@H]1N2CCCCC2)c3ccccc3	ZINC000000204580	O=S(=O)(NC1CCCCC1N2CCCCC2)c3ccccc3
Cc2ccc(NC(=O)COc1ccc(N(=O)=O)cc1)cc2C	ZINC000000038368	O=C(COc1ccccc1)Nc2ccccc2
CNC(=O)c3cccc(NC(=O)Cc1csc2ccccc12)c3	ZINC000000017446	O=C(Cc1csc2ccccc12)Nc3ccccc3
C[C@@H]([N@]4CCc3nc(=O)n2cc(c1ccccc1F)[nH]c2c3C4)c5ccccc5	ZINC000000604785	O=c4nc2CCN(Cc1ccccc1)Cc2c5[nH]c(c3ccccc3)cn45
CCC2(c1ccccc1)C(=O)NCNC2=O	ZINC000000001979	O=C1NCNC(=O)C1c2ccccc2
C[C@@H](N)Cc1c[nH]c2ccc(F)cc12	ZINC000000057323	c2ccc1[nH]ccc1c2
C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c2cc(O)cc(O)c2	ZINC000000057321	C(Cc1ccccc1)NCCc2ccccc2
NC(=N)NCc2nc(c1ccccc1F)cs2	ZINC000000013096	c2ccc(c1cscn1)cc2
O=c3n(Cc1ccccc1)n(Cc2ccccc2)c(=O)c4ccccc34	ZINC000000072785	O=c3n(Cc1ccccc1)n(Cc2ccccc2)c(=O)c4ccccc34
COc3ccc([C@]2(C)N(O)[C@@H](C)C(c1ccccc1)[N+]2=O)cc3	ZINC000000454324	O=[N+]2C(c1ccccc1)CNC2c3ccccc3
CC(C)Oc1ccc(CN)cc1	ZINC000000153926	c1ccccc1
CC(C)Oc1ccccc1CN	ZINC000000153924	c1ccccc1
CC(C)Oc1cccc(CN)c1	ZINC000000153925	c1ccccc1
COC[C@@H](C)NCc1cc(OC)ccc1OC	ZINC000000263187	c1ccccc1
COc3cccc(CN2CCC(N1CCCCC1)CC2)c3OC	ZINC000000243821	C3CCN(C2CCN(Cc1ccccc1)CC2)CC3
CC(=O)N1CCC(=C)CC1	ZINC000000163661	C=C1CCNCC1
CSCN1CCCCC1	ZINC000000159535	C1CCNCC1
CN2CCC(NC1CC1)CC2	ZINC000000153929	C2CC(NC1CC1)CCN2
Fc1ccc(N(=O)=O)c(C(F)(F)F)c1	ZINC000000056816	c1ccccc1
CCOC(=O)C(=C/N=c1\ccn(C)c2ccccc12)/C#N	ZINC000000289847	N=c1cc[nH]c2ccccc12
COc1ccc(CN)cc1	ZINC000000157596	c1ccccc1
NCc1ccc(F)cc1	ZINC000000157595	c1ccccc1
NCc1ccc(Cl)cc1	ZINC000000157594	c1ccccc1
CCOc2ccc(NS(=O)(=O)c1ccc(N)cc1)nn2	ZINC000000002113	O=S(=O)(Nc1cccnn1)c2ccccc2
O=C(NC3CCN(Cc2ccc1ccccc1c2)CC3)NC(=O)c4ccccc4	ZINC000000538150	O=C(NC3CCN(Cc2ccc1ccccc1c2)CC3)NC(=O)c4ccccc4
C[N@]1[C@H]2C[C@H](O)[C@@H]1CC(=O)C2	ZINC000000388127	O=C1CC2CCC(C1)N2
COc2cccc(OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C)c2	ZINC000000240321	C2CCN(CCCOc1ccccc1)CC2
CN2CCC[C@@]1(CCCNC1)C2	ZINC000000106624	C1CNCC2(C1)CCCNC2
CSc1cc(N)nc(N)n1	ZINC000000399488	c1cncnc1
Cc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2	ZINC000000057493	O=S(=O)(Nc1nncs1)c2ccccc2
CC(C)(C)[C@@]2(O)C(=O)Nc1ccccc12	ZINC000000093578	O=C2Cc1ccccc1N2
Cc2ccc(NC1=NCCCS1)cc2	ZINC000000093579	C2CSC(Nc1ccccc1)=NC2
OC(=O)[C@@H]1CCCC[N@]1Cc2ccccc2	ZINC000000041051	C2CCN(Cc1ccccc1)CC2
OC[C@@H]2CCC[N@@](Cc1ccncc1)C2	ZINC000000216911	C2CCN(Cc1ccncc1)CC2
C[N+](C)(CCn2c(=O)c1SCCSc1c2=O)Cc3ccccc3	ZINC000000392543	O=c2c1SCCSc1c(=O)n2CCNCc3ccccc3
Cc3ccc(c2noc(CN(Cc1ccco1)S(C)(=O)=O)n2)cc3	ZINC000000033617	C(NCc2nc(c1ccccc1)no2)c3ccco3
ON=C2CCN(Cc1ccccc1)CC2	ZINC000000184878	N=C2CCN(Cc1ccccc1)CC2
Clc4ccc3c(=O)oc(c2sc1ccccc1c2Cl)nc3c4	ZINC000000066955	O=c3oc(c2cc1ccccc1s2)nc4ccccc34
Cc3ccc2c(=O)n(c1ccc(Cl)c(Cl)c1)c(=O)[nH]c2c3	ZINC000000069276	O=c2[nH]c1ccccc1c(=O)n2c3ccccc3
FC(F)(F)c3cc(N1CCNCC1)c2ccccc2n3	ZINC000000170653	C3CN(c1ccnc2ccccc12)CCN3
C[C@H]1[C@H](O)CC[N@@](C)[C@@H]1c2ccccc2	ZINC000000270728	C2CCC(c1ccccc1)NC2
CC(C)NC(=O)c2ccc(CN(c1ccccc1)S(C)(=O)=O)cc2	ZINC000000284388	C(Nc1ccccc1)c2ccccc2
C[C@H]2[C@@H](c1ccccc1)NCCC2=O	ZINC000000270720	O=C2CCNC(c1ccccc1)C2
CCCn2c(=O)n(CC)c1ncn(CCC[C@H](O)[C@@H](C)O)c1c2=O	ZINC000000010589	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(C)(C)n2c[n+](c1ccccc1)nn2	ZINC000000071140	c2ccc([n+]1c[nH]nn1)cc2
O=C(NC[C@@H]2COc1ccccc1O2)c3ccco3	ZINC000000068492	O=C(NCC2COc1ccccc1O2)c3ccco3
CCN(CC)C(=O)CSc1nc(N)cc(N)n1	ZINC000000495389	c1cncnc1
O[C@H](Cn2c1ccccc1c3ccccc23)C[n+]4ccccc4	ZINC000000303657	C(Cn2c1ccccc1c3ccccc23)C[n+]4ccccc4
O=CNc2ccc(C1=NNC(=O)CC1)cc2	ZINC000000040350	O=C2CCC(c1ccccc1)=NN2
COC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000000029683	c1ccccc1
COc3ccc(CC2CCC(=NOC(=O)C1CCCCC1)CC2)cc3	ZINC000000135465	O=C(ON=C2CCC(Cc1ccccc1)CC2)C3CCCCC3
Clc3ccc(c2nnc(NC1=NCCC1)o2)cc3	ZINC000000033556	C3CN=C(Nc2nnc(c1ccccc1)o2)C3
OCCN4CCN([C@H]2C[C@H](c1ccc(Cl)c(Cl)c1)c3ccccc23)CC4	ZINC000000596855	C4CN(C2CC(c1ccccc1)c3ccccc23)CCN4
O=C(N(C2CCN(CCc1ccccc1)CC2)c3cccnc3)c4ccco4	ZINC000000596859	O=C(N(C2CCN(CCc1ccccc1)CC2)c3cccnc3)c4ccco4
C[C@@H]2CN=C(Nc1ccc(N)cc1)S2	ZINC000000086384	C2CN=C(Nc1ccccc1)S2
COc2ccc(C(=O)COC(=O)c1ccc(Br)cc1)cc2	ZINC000000270581	O=C(COC(=O)c1ccccc1)c2ccccc2
COc2ccc(\C=c1\[nH]c(=S)[nH]c1=O)c(Cl)c2OC	ZINC000000132855	O=c1[nH]c(=S)[nH]c1=Cc2ccccc2
Nc2c1CCCCc1nc3cccc(F)c23	ZINC000000010131	C3CCc2nc1ccccc1cc2C3
Cc2cc(C)c(C#N)c(SCCN1CCCCC1)n2	ZINC000000132850	C2CCN(CCSc1ccccn1)CC2
COC[C@@H](C)N[C@@H]2CCc1ccccc1C2	ZINC000000219935	C2CCc1ccccc1C2
C3CN(c2nc1ccccc1[nH]2)CCO3	ZINC000000094717	C3CN(c2nc1ccccc1[nH]2)CCO3
O=c3[nH]c(=O)c2c1CCCCc1sc2[nH]3	ZINC000000150162	O=c3[nH]c(=O)c2c1CCCCc1sc2[nH]3
C[C@@H](O)CNC1CCCCC1	ZINC000000409878	C1CCCCC1
CN2C[C@@H](C(=O)N1CC[C@@H](CN)C1)NC2=O	ZINC000662406688	O=C2NCC(C(=O)N1CCCC1)N2
CCOC(=O)CCN	ZINC000000162643	nonring
CN(C)CCOC(=O)[C@@H](c1ccccc1)C2(O)CCCC2	ZINC000000155531	C2CCC(Cc1ccccc1)C2
CCOC(=O)[C@@H](N)C(C)C	ZINC000000162644	nonring
CC(=C)Cn3c(SCc1ccccc1)nc2ccccc2c3=O	ZINC000000045603	O=c2[nH]c(SCc1ccccc1)nc3ccccc23
OC[C@@H]1CCCCN1	ZINC000000388341	C1CCNCC1
OC[C@@H]1CCCNC1	ZINC000000388342	C1CCNCC1
C[C@H](CN(C)C)[C@](C)(O)Cc1ccc(Cl)cc1	ZINC000000000166	c1ccccc1
COC(=O)c/1c(C)n(C)c(=O)c\1=C/c3ccc2OCOc2c3	ZINC000000037628	O=c1[nH]ccc1=Cc3ccc2OCOc2c3
Cc3c(CCC(=O)NN)c(C)n2c1ccccc1nc2c3C#N	ZINC000000045606	c1ccc3c(c1)nc2ccccn23
O=c2[nH]cc(c1ccncc1)cc2C#N	ZINC000000155538	O=c2ccc(c1ccncc1)c[nH]2
Cc1ccc(OC(N)=S)cc1	ZINC000000335485	c1ccccc1
CC(=O)N1N=C(N)S[C@@H]1c2ccccc2	ZINC000000040096	N1N=CSC1c2ccccc2
Nn3cnc2sc1CCCCc1c2c3=O	ZINC000000040098	O=c2[nH]cnc3sc1CCCCc1c23
COc2ccc(\C=c1\[nH]c(=O)[nH]c1=O)c(OC)c2	ZINC000000072148	O=c2[nH]c(=O)c(=Cc1ccccc1)[nH]2
Cc4ccc3cc(NC(=O)[C@H]2CN(Cc1ccco1)C(=O)C2)ccc3n4	ZINC000000158210	O=C3CC(C(=O)Nc2ccc1ncccc1c2)CN3Cc4ccco4
COc2ccc(C=c1c(=O)[nH]c(=S)[nH]c1=O)cc2C(O)=O	ZINC000000036930	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
CN1CC2(C)CN(C)CC(C)(C1)C2O	ZINC000000209546	C1NCC2CNCC1C2
COC(=O)c1cccc(NC(=S)NN)c1	ZINC000000134337	c1ccccc1
COC(=O)c2cccc(NC(=S)N/N=C/c1ccc(OC)cc1)c2	ZINC000000134339	S=C(NN=Cc1ccccc1)Nc2ccccc2
C[C@@H]2COC(=O)C(=NNc1ccccc1)N2	ZINC000000075490	O=C1OCCNC1=NNc2ccccc2
NC(=O)Cn2c(S(=O)(=O)Cc1ccccc1)nc3ccccc23	ZINC000000107798	O=S(=O)(Cc1ccccc1)c3nc2ccccc2[nH]3
Cn2cnc3c(NCCc1ccccc1)ncnc23	ZINC000000025175	C(Cc1ccccc1)Nc2ncnc3[nH]cnc23
CCN(CC)CC2CCN(CC(=O)N1CCOCC1)CC2	ZINC000047977819	O=C(CN1CCCCC1)N2CCOCC2
CC2(C)CC(NCC(=O)OC1CCCCC1)CC(C)(C)N2	ZINC000000052222	O=C(CNC1CCNCC1)OC2CCCCC2
Cc2ccc(N[C@@H]1C[C@@H](O)[C@H](CO)O1)cc2C	ZINC000000235224	C2COC(Nc1ccccc1)C2
Cc4cc(c3ccc(C=c2c(=O)c1ccccc1c2=O)o3)ccc4Cl	ZINC000000235227	O=c3c(=Cc2ccc(c1ccccc1)o2)c(=O)c4ccccc34
CC(C)CCNS(=O)(=O)c1ccc(F)cc1	ZINC000000030394	c1ccccc1
CN(C)C(ON3C(=O)[C@H]2[C@H]1C[C@H](C=C1)[C@H]2C3=O)=[N+](C)C	ZINC000000154918	O=C3NC(=O)C2C1CC(C=C1)C23
Clc1cccc(/C=C/N(=O)=O)c1	ZINC000000099034	c1ccccc1
O=c2cc(c1cccs1)[nH]c3ccccc23	ZINC000000013800	O=c2cc(c1cccs1)[nH]c3ccccc23
c2ccc(c1cc[nH]c1)nc2	ZINC000000336755	c2ccc(c1cc[nH]c1)nc2
CC(C)CCNS(=O)(=O)Cc1ccccc1	ZINC000000030399	c1ccccc1
C[N@]1[C@H]3CC[C@@H]1CC(=NOC(=O)c2ccco2)C3	ZINC000000135880	O=C(ON=C1CC2CCC(C1)N2)c3ccco3
On2c1CCCCc1c4c2ccc3nonc34	ZINC000000035911	C1CCc3c(C1)[nH]c4ccc2nonc2c34
Fc3ccc(C(=O)C2CCN(CCc1ccccc1)CC2)cc3	ZINC000000011266	O=C(C2CCN(CCc1ccccc1)CC2)c3ccccc3
C[C@@H](O)\C=C\c2ccc1ccccc1[n+]2C	ZINC000000047472	c2ccc1ncccc1c2
Cc3ccc(n1nnnc1SCc2c(F)cccc2Cl)c(C)c3	ZINC000000066291	C(Sc1nnnn1c2ccccc2)c3ccccc3
CCc2ccc(C1=NCCN1)cc2	ZINC000000007353	C2CN=C(c1ccccc1)N2
Clc2ccc(c1ccc(C=O)o1)cc2	ZINC000000039144	c2ccc(c1ccco1)cc2
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000000041612	C1CCNC1
Nc1ccc(OC(F)(F)F)cc1	ZINC000000081472	c1ccccc1
C2CCOC(CN1CCCC1)OC2	ZINC000000206536	C2CCOC(CN1CCCC1)OC2
COC(=O)c1c(O)cccc1F	ZINC000000154003	c1ccccc1
Cc2nn(c1ccccc1)c(Cl)c2C(=O)NCc3ccccc3	ZINC000000044260	O=C(NCc1ccccc1)c3cnn(c2ccccc2)c3
CCOC(=O)[C@@]2(c1csc(N)n1)COC(=O)C2	ZINC000000027950	O=C2CC(c1cscn1)CO2
O=C2CCNc3cc1ccccc1cc23	ZINC000000051426	O=C2CCNc3cc1ccccc1cc23
C[C@@H]1CCc3c(C1)sc(NC(=O)[C@H]2CCCO2)c3C(N)=O	ZINC000000035704	O=C(Nc2cc1CCCCc1s2)C3CCCO3
CC(=O)Nc2ccc(NC(=O)c1ccc(C)c(Br)c1)cc2	ZINC000000038550	O=C(Nc1ccccc1)c2ccccc2
CN(N[C@@H]1OC(=O)c2ccccc12)c3cc(C(F)(F)F)cc(C)n3	ZINC000000142869	O=C2OC(NNc1ccccn1)c3ccccc23
O=C(NC1CCCC1)[C@H](Sc2ccccc2)c3ccccc3	ZINC000000035700	O=C(NC1CCCC1)C(Sc2ccccc2)c3ccccc3
COc3c1OCOc1cc2CC[N+](C)(C)[C@H](NC(=O)C=C)c23	ZINC000000486315	C3Cc2cc1OCOc1cc2CN3
CC(=O)c2cc1ccc(O)cc1oc2=O	ZINC000000047516	O=c2ccc1ccccc1o2
CC(=O)O[C@@H](CN1CCCC1)C(C)(C)C	ZINC000000106432	C1CCNC1
Nc1ccccc1C(=O)OCC[C@@H]2CCCCN2	ZINC000000000638	O=C(OCCC1CCCCN1)c2ccccc2
Fc2cccc(CCNC(=S)Nc1ccc(Br)cn1)c2	ZINC000000584119	S=C(NCCc1ccccc1)Nc2ccccn2
CNCC(=O)N2CCc1ccccc1[C@@H]2C	ZINC000000250981	C2Cc1ccccc1CN2
CC2=N[C@@H](CO)[C@H](c1ccccc1)O2	ZINC000000119733	C1N=COC1c2ccccc2
C[C@H]2N(CC1=NCCN1)Cc3ccccc23	ZINC000000024559	C3CN=C(CN2Cc1ccccc1C2)N3
COC(=O)CNS(=O)(=O)c1ccc(Br)cc1	ZINC000000029876	c1ccccc1
CNC(=O)\C=C(/c1ccccc1)c3ccc2nc(N)c(C(C)=O)n2c3	ZINC000000024225	C=C(c1ccccc1)c3ccc2nccn2c3
O=c3oc1ccccc1c4n(CCN2CCCCC2)cnc34	ZINC000000377018	O=c3oc1ccccc1c4n(CCN2CCCCC2)cnc34
CN(C)CCN2C(=O)N[C@@](C)(c1ccc(N(=O)=O)cc1)C2=O	ZINC000000181425	O=C2NC(c1ccccc1)C(=O)N2
Cc1cnc(C)cn1	ZINC000000003182	c1cnccn1
COC(=O)c1ccccc1NC(=O)Cc2ccccc2N(=O)=O	ZINC000000042636	O=C(Cc1ccccc1)Nc2ccccc2
Clc3ccc([C@]12CNC[C@H]1C2)cc3Cl	ZINC000000003189	C2NCC3(c1ccccc1)CC23
OC[C@@H]2O[C@H](n1cc(C(F)(F)F)c(=O)[nH]c1=O)C[C@H]2O	ZINC000000002219	O=c2ccn(C1CCCO1)c(=O)[nH]2
Cn2cc(Br)c(C(=O)Nc1cccc(C(F)(F)F)c1)n2	ZINC000000175419	O=C(Nc1ccccc1)c2cc[nH]n2
CN(C)c2c(C)cc(Cc1cnc(N)nc1N)c3cccnc23	ZINC000000000989	C(c1cncnc1)c2cccc3ncccc23
CC(C)Oc3ccc(\C=N\CC2(c1ccccc1)CCOCC2)cc3	ZINC000000209044	C3CC(CN=Cc1ccccc1)(c2ccccc2)CCO3
C3CNCc2cc1ccccc1n2C3	ZINC000000000983	C3CNCc2cc1ccccc1n2C3
CC[N@@]2CCc1nc(N)oc1CC2	ZINC000000000982	C2Cc1ncoc1CCN2
CC(=O)O[C@@H](COCc1ccccc1)C[N+]2(C)CCOCC2	ZINC000000494171	C(COCc1ccccc1)CN2CCOCC2
CCOC(=O)N4CCC([N@]1C[C@@H]3C[C@H](C1)c2cccc(=O)n2C3)CC4	ZINC000000228619	O=c4cccc3C2CC(CN(C1CCNCC1)C2)Cn34
CC3(C)CN(C1=CCCC1=O)c2cc(C(F)(F)F)ccc2S3	ZINC000000003459	O=C1CCC=C1N2CCSc3ccccc23
Brc3ccc2nc1CCCCc1n2c3	ZINC000000115904	C1CCc2c(C1)nc3ccccn23
C[C@@]13CCC(=O)N1c2ccccc2N3	ZINC000000003982	O=C3CCC2Nc1ccccc1N23
COc1ccccc1N3CCN(/N=C/c2ccccc2)CC3	ZINC000000046642	C2CN(c1ccccc1)CCN2N=Cc3ccccc3
CC(C)CC(=O)N3CCN(C2CCN(Cc1ccccc1)CC2)CC3	ZINC000000105527	C3CN(C2CCN(Cc1ccccc1)CC2)CCN3
Cn2c(N1CCNCC1)nc3ccccc23	ZINC000000005586	C3CN(c2nc1ccccc1[nH]2)CCN3
C[C@@H]3C[C@@H]([N@]1CNc2c(C1)c(=O)n(C)c(=O)n2C)CC(C)(C)C3	ZINC000000070157	O=c3[nH]c2NCN(C1CCCCC1)Cc2c(=O)[nH]3
C[C@@H](O)c1c(O)ccc2ccc(=O)oc12	ZINC000000083169	O=c2ccc1ccccc1o2
CS(=O)(=O)c1cccc(N)c1	ZINC000000153766	c1ccccc1
Cc2cc(=O)oc3cc(NC(=O)[C@@H](N)Cc1ccccc1)ccc23	ZINC000000391857	O=C(CCc1ccccc1)Nc3ccc2ccc(=O)oc2c3
CC(C)N4CCN(C(=O)n2c1ccccc1sc3ccccc23)CC4	ZINC000000538361	O=C(N1CCNCC1)n3c2ccccc2sc4ccccc34
CC(C)NC(=O)CCn3nc(c1ccc(C)cc1)c2ccccc2c3=O	ZINC000000204029	O=c2[nH]nc(c1ccccc1)c3ccccc23
COc3cc2CCN[C@H](c1ccc(N(C)C)cc1)c2cc3OC	ZINC000000128191	C3Cc1ccccc1C(c2ccccc2)N3
OCc3ccc(c2ccc(c1ccc(C=O)s1)s2)s3	ZINC000000023249	c3csc(c2ccc(c1cccs1)s2)c3
Cc3ccc(OCC(=O)N2CCC(N1CCCC1)CC2)cc3	ZINC000000316569	O=C(COc1ccccc1)N3CCC(N2CCCC2)CC3
O=[N+](Cc1c[nH]c2ccccc12)c3ccccc3	ZINC000000079148	O=[N+](Cc1c[nH]c2ccccc12)c3ccccc3
O=C2COc1ccc(N(=O)=O)cc1N2	ZINC000000168432	O=C2COc1ccccc1N2
Cc1nccn1C(=O)c2ccc(N(=O)=O)cc2Cl	ZINC000000033265	O=C(c1ccccc1)n2ccnc2
O=C(N1CCCCC1)C(\C#N)=c2\c(=O)[nH]c3ccccc23	ZINC000000033269	O=C(C=c1c(=O)[nH]c2ccccc12)N3CCCCC3
Cc2ccc(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)cc2	ZINC000000051222	O=C(Nc1ccccc1)C2CCCN2
CC[N@]1CCc2c(C1)sc(N)c2C(=O)OC	ZINC000000265910	C2Cc1ccsc1CN2
COc1ccc(O)c([C@H](C)\C=C\C)c1	ZINC000000051226	c1ccccc1
CC(C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c2cccc(F)c2	ZINC000000042867	O=C2NC=CC(c1ccccc1)N2
COC(=O)C2CCN(Cc1cccc(F)c1)CC2	ZINC000000170047	C2CCN(Cc1ccccc1)CC2
COc2ccc([C@@]1(CCN)CCOC(C)(C)C1)cc2	ZINC000000177015	C2CC(c1ccccc1)CCO2
C4CN(c2ncnc3n(c1ccccc1)ncc23)CCN4	ZINC000000410942	C4CN(c2ncnc3n(c1ccccc1)ncc23)CCN4
Clc3ccc(C(=O)CC[N@]2CCC(c1ccc(Cl)cc1)=CC2)cc3	ZINC000000597843	O=C(CCN2CCC(c1ccccc1)=CC2)c3ccccc3
CC3(C)C=C(n1ccccc1=O)c2cc(C#C)ccc2C3=O	ZINC000000015980	O=C2CC=C(n1ccccc1=O)c3ccccc23
Cc3c1CCCCc1nc(SCC(=O)c2ccc(F)cc2)c3C#N	ZINC000000093290	O=C(CSc2ccc1CCCCc1n2)c3ccccc3
O=C(N[C@H]1CN2CCC1CC2)c4c[nH]c3ccsc3c4=O	ZINC000000016869	O=C(NC1CN2CCC1CC2)c4c[nH]c3ccsc3c4=O
F[C@@H](c2nc1ccccc1[nH]2)C(F)(F)F	ZINC000000049144	c2ccc1[nH]cnc1c2
CCOC(=O)Cc1csc2=NCCn12	ZINC000000091663	C2Cn1ccsc1=N2
CN(C)[C@@H]1CCC[C@@H]1OC(=O)C(O)(c2ccccc2)c3ccccc3	ZINC000000536434	O=C(OC1CCCC1)C(c2ccccc2)c3ccccc3
CN(C)[C@H]3CCCN(C(=O)c1cn(C)c2ccccc12)C3	ZINC000000013634	O=C(N1CCCCC1)c2c[nH]c3ccccc23
COc1ccccc1Oc3ncnc4scc(c2ccc(C)cc2)c34	ZINC000000091520	O(c1ccccc1)c3ncnc4scc(c2ccccc2)c34
CC(=O)N3CCC(NC(c1ccccc1)c2ccccc2)CC3	ZINC000000215472	C3CC(NC(c1ccccc1)c2ccccc2)CCN3
Fc3cccc(CN2CCN(c1ccccn1)CC2)c3	ZINC000000237678	C2CN(c1ccccn1)CCN2Cc3ccccc3
Clc2cccc(C1=CCCNC1)c2	ZINC000000019097	C2CC=C(c1ccccc1)CN2
Fc1ccccc1N2CC(=O)NC2=O	ZINC000000022042	O=C2CN(c1ccccc1)C(=O)N2
O=C(Cn1cncc1c2ccc(N(=O)=O)cc2)N3CCOCC3	ZINC000000036238	O=C(Cn1cncc1c2ccccc2)N3CCOCC3
CC(C)Cc1cc(C(N)=O)c(C)o1	ZINC000000036236	c1ccoc1
C[C@@H]1O[C@]2(C)O[C@H]1[C@]3(C)O[C@@H](C)[C@H]2O3	ZINC000000085699	C1OC2OC1C3OCC2O3
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc2ccco2	ZINC000000036720	O=c2[nH]cc(S(=O)(=O)NCc1ccco1)c(=O)[nH]2
Cc1nc(NC=O)sc1C(C)(C)C	ZINC000000039913	c1cscn1
CCn2c(c1ccc(Cl)cc1)n[nH]c2=O	ZINC000000004188	O=c2[nH]nc(c1ccccc1)[nH]2
COC(=O)c1ccccc1NC(=O)Cc2ccc(Br)cc2	ZINC000000030767	O=C(Cc1ccccc1)Nc2ccccc2
C[N+](C)(C)CCOn2c(=O)c1ccccc1c2=O	ZINC000000406271	O=c1[nH]c(=O)c2ccccc12
COc2cc([C@H]1NCCC(=O)C1(C)C)cc(OC)c2OC	ZINC000000387935	O=C2CCNC(c1ccccc1)C2
Nc2cc(Cl)nc(SCc1ccccc1)n2	ZINC000000021246	C(Sc1ncccn1)c2ccccc2
C=Cc2noc([C@@H]1CNC=NC1)n2	ZINC000000021241	C1NC=NCC1c2ncno2
O=C(c1cccs1)c3cn(CCOc2ccccc2)c4ccccc34	ZINC000000578851	O=C(c1cccs1)c3cn(CCOc2ccccc2)c4ccccc34
Cc1c[n+](C)c(C)cn1	ZINC000000393469	c1cnccn1
CNCc2cc1ccccc1s2	ZINC000000064947	c2ccc1sccc1c2
CNCc1ccsc1	ZINC000000064946	c1ccsc1
CC(C)[N@]2CCC[C@H](c1cccc(C#N)c1)C2	ZINC000000007986	C2CNCC(c1ccccc1)C2
CCOC(=O)\C=C\c1ccc(O)cc1	ZINC000000040395	c1ccccc1
CCOc3ccc(N2C(=O)C[C@H](N1CCC(C(N)=O)CC1)C2=O)cc3	ZINC000000062533	O=C2CC(N1CCCCC1)C(=O)N2c3ccccc3
N#Cc2cccc([C@H]1CCCNC1)c2	ZINC000000007988	C2CNCC(c1ccccc1)C2
Nc3ccc(N2CCN(Cc1ccccc1)CC2)cc3	ZINC000000166223	C2CN(c1ccccc1)CCN2Cc3ccccc3
CSc1ccc([C@@H](O)[C@@H](N)CO)cc1	ZINC000000056799	c1ccccc1
CCN(CC)CC(=O)N1CCCC1=O	ZINC000000191118	O=C1CCCN1
Cc2c(N)c(=O)n(c1ccccc1)n2C	ZINC000000061079	O=c1cc[nH]n1c2ccccc2
Clc1ccccc1c3nc(\C=N\N2CCOCC2)c4ccccn34	ZINC000000071942	C4CN(N=Cc2nc(c1ccccc1)n3ccccc23)CCO4
Fc3ccc(N2C(=O)C[C@H](N1CCSCC1)C2=O)cc3	ZINC000000063621	O=C2CC(N1CCSCC1)C(=O)N2c3ccccc3
COc1cccc2onc(N)c12	ZINC000000161909	c2ccc1oncc1c2
Cc2cc(C)[n+]1ccccc1n2	ZINC000000040083	c2cc[n+]1cccnc1c2
CC(C)Nc1cccnc1N4CCN(C(=O)c3cc2ccccc2[nH]3)CC4	ZINC000000587534	O=C(N2CCN(c1ccccn1)CC2)c4cc3ccccc3[nH]4
O=C(\C=C\c1ccccc1)N2CCOCC2	ZINC000000061845	O=C(C=Cc1ccccc1)N2CCOCC2
CCNc1cccnc1N4CCN(C(=O)c3cc2cc(F)ccc2[nH]3)CC4	ZINC000000587537	O=C(N2CCN(c1ccccn1)CC2)c4cc3ccccc3[nH]4
Cc2cc(\C=C\c1ccccc1OC[C@H](O)CNC(C)(C)C)on2	ZINC000000000406	C(=Cc1ccno1)c2ccccc2
C[N@]1CCC[C@@H]1c2cccnc2N	ZINC000000040177	C2CNC(c1cccnc1)C2
CC(=O)NC2(C(F)(F)F)Oc1cc(Cl)c(Cl)cc1O2	ZINC000000045414	C2Oc1ccccc1O2
CN(C)C(=O)N[C@@]2(C(F)(F)F)Oc1ccc(Cl)cc1O2	ZINC000000045418	C2Oc1ccccc1O2
Cc2cc(C)nc(N1CCOCC1)n2	ZINC000000040179	C2CN(c1ncccn1)CCO2
CN2CCN(NC(=O)\C=C\c1ccccc1Cl)CC2	ZINC000000579454	O=C(NN1CCNCC1)C=Cc2ccccc2
Cc2ccc(NC(=O)CN1CCC(C(N)=O)CC1)cc2	ZINC000000299685	O=C(CN1CCCCC1)Nc2ccccc2
CC(=O)C[C@@H]1S[C@@H](CO)C(C)=C1	ZINC000000017808	C1SCC=C1
CC[C@@]2(C)N(O)C(C)(C)C(c1ccc(OC)cc1)[N+]2=O	ZINC000000269119	O=[N+]1CNCC1c2ccccc2
CC(C)NC(=O)C(=O)N1CCNCC1	ZINC000004219193	C1CNCCN1
CCOC(=O)c1cnn(C)c1NC(=O)c2ccc(Cl)cc2Cl	ZINC000000081868	O=C(Nc1ccn[nH]1)c2ccccc2
CC2(C)Cc1noc(N)c1C(C)(C)N2O	ZINC000000056300	C2Cc1nocc1CN2
CC(C)[C@@H]2C[C@@](O)(C1(O)CCCCC1)ON2	ZINC000000092501	C2CCC(C1CCNO1)CC2
CC(=O)c2cc(Nc1cc(C)n(C)c(=N)n1)cc(C(C)=O)c2	ZINC000000006768	N=c2nc(Nc1ccccc1)cc[nH]2
Fc3ccc(NC(=O)c2ccc1OCOc1c2)cc3	ZINC000000030182	O=C(Nc1ccccc1)c3ccc2OCOc2c3
C[N@]2CCCN([C@@H](CN)c1ccc(F)cc1F)CC2	ZINC000020217654	C2CNCCN(Cc1ccccc1)C2
Nc1n[nH]c2cc(Cl)ccc12	ZINC000000154498	c2ccc1[nH]ncc1c2
Cc3cccc(CN2CCN(C(=O)C1CCNCC1)CC2)c3	ZINC000019687836	O=C(C1CCNCC1)N3CCN(Cc2ccccc2)CC3
Cn3c1ccccc1c4cc2ccccc2c[n+]34	ZINC000000006766	c4ccc3c[n+]2[nH]c1ccccc1c2cc3c4
Cc1ccccc1\C=N\NC(N)=S	ZINC000000102678	c1ccccc1
CCOC(=O)N1N=CC[C@@H]1C	ZINC000000025099	C1CC=NN1
Clc3ccc(CNC(=O)CCn1c(=O)sc2ccccc12)cc3	ZINC000000245956	O=C(CCn1c(=O)sc2ccccc12)NCc3ccccc3
CCN(CC)CC[C@@H]1SCC(=O)N1Cc2ccccc2N(=O)=O	ZINC000000034643	O=C1CSCN1Cc2ccccc2
COc2ccc(/C=C/C(=O)Nc1ccccc1)cc2	ZINC000000028321	O=C(Nc1ccccc1)C=Cc2ccccc2
C[N@@](Cc1ccccc1)Cc2cccnc2	ZINC000000042821	C(NCc1cccnc1)c2ccccc2
CC(=O)c1ccc(O)c(C)c1	ZINC000000164888	c1ccccc1
C[N@]1CC[C@@H]3[C@@H](C1)c2cc(C)ccc2N3S(=O)(=O)c4cccnc4	ZINC000000525770	O=S(=O)(N2C1CCNCC1c3ccccc23)c4cccnc4
COc2ccc3C[N+](C)(C)CC[C@@]14C=CC[C@@H](O)[C@H]1Oc2c34	ZINC000000487786	C2CC14C=CCCC1Oc3cccc(CN2)c34
COc1ccc(CN)c(OC)c1	ZINC000000119693	c1ccccc1
COc3ccc(OC)c(c2n(C)c1ccccc1[n+]2C)c3	ZINC000000225643	c3ccc(c2nc1ccccc1[nH]2)cc3
COc2cc[n+](OC(=O)N1CCCCC1)c(C)c2	ZINC000000172287	O=C(O[n+]1ccccc1)N2CCCCC2
Cc1ccccc1[C@@H]2CNC(=O)C2	ZINC000000178844	O=C2CC(c1ccccc1)CN2
Cc2ccn(C(=S)Nc1ccccc1)n2	ZINC000000115228	S=C(Nc1ccccc1)n2cccn2
C/C(=N\O)c1ccc(C)c(C)c1O	ZINC000000025891	c1ccccc1
Fc2cc1non(=O)c1cc2F	ZINC000000118614	O=n1onc2ccccc12
CN(C)CCNc2cnn(c1ccccc1)c(=O)c2Cl	ZINC000000118611	O=c1cccnn1c2ccccc2
CCOC(=O)c2c(C)n(C)c3ccc(O)c(CN1CCCCC1)c23	ZINC000000547292	C3CCN(Cc1cccc2[nH]ccc12)CC3
CN(C)c2cc(N)c1CCCc1n2	ZINC000000333863	C2Cc1cccnc1C2
Fc3ccc(F)c(NCn1nnc2ccccc12)c3	ZINC000000031582	C(Nc1ccccc1)n2nnc3ccccc23
O=c2n(CN1CCCCC1)c4cccc3cccc2c34	ZINC000000125964	O=c2n(CN1CCCCC1)c4cccc3cccc2c34
C[C@H]1N(C)C(=O)c2cc(=O)[nH]c(O)c12	ZINC000005503490	O=C1NCc2c[nH]c(=O)cc12
CN(C)CCNC(C)=c1c(=O)[nH]c(=O)n(CC=C)c1=O	ZINC000000531789	C=c1c(=O)[nH]c(=O)[nH]c1=O
Cc2n(C)c1ncccc1[n+]2C	ZINC000000444791	c2cnc1[nH]cnc1c2
O=C2C[C@@H](c1ccccc1)NC(=O)N2	ZINC000000197409	O=C2CC(c1ccccc1)NC(=O)N2
O=c3n(c1ccccc1)c(C[n+]2ccccc2)nc4ccccc34	ZINC000000175086	O=c3n(c1ccccc1)c(C[n+]2ccccc2)nc4ccccc34
CC(C)c2ccc(CNC(=O)c1ccc(=O)[nH]c1)cc2	ZINC000000038347	O=C(NCc1ccccc1)c2ccc(=O)[nH]c2
CN(N)C(=S)NC(C)(C)C	ZINC000000172759	nonring
C[C@H]3CC(=C)C[C@H](c1ccccc1OC[C@@H](O)CN2CCCCC2)O3	ZINC000000348466	C=C3CCOC(c1ccccc1OCCCN2CCCCC2)C3
CN(C)CCC(=O)c1ccc(C)o1	ZINC000000268396	c1ccoc1
CN(C)CCNC(=O)c1c(C)c(C)sc1NC(=O)c2ccccc2	ZINC000000293595	O=C(Nc1cccs1)c2ccccc2
COc1cc(C=O)cc(OC)c1OCc2ccc(F)cc2	ZINC000000035114	C(Oc1ccccc1)c2ccccc2
COc2ccc(N1CCNCC1)cc2	ZINC000000157604	C2CN(c1ccccc1)CCN2
CN3CCN(c2ccc(NC(=O)c1ccco1)cc2)CC3	ZINC000000360001	O=C(Nc2ccc(N1CCNCC1)cc2)c3ccco3
CCOC(=O)C2[C@@H](c1ccc(OC)cc1OC)NC(=S)N=C2C	ZINC000000039353	S=C2NC(c1ccccc1)CC=N2
C2CN=C(CNc1ccccc1)N2	ZINC000000001918	C2CN=C(CNc1ccccc1)N2
NC(=O)NC(=O)Cc1ccccc1	ZINC000000001916	c1ccccc1
COc2cc(CC1=NCCN1)cc(OC)c2OC	ZINC000000001914	C2CN=C(Cc1ccccc1)N2
CC2(C)OC[C@@H]([C@H]1OC(C)(C)O[C@@H]1CO)O2	ZINC000000057301	C2OCC(C1COCO1)O2
Cc1cc(N)ccc1n3c(=O)c2ccc(Cl)cc2c3=O	ZINC000000080801	O=c2n(c1ccccc1)c(=O)c3ccccc23
CCCN2CCC(NC1CC1)CC2	ZINC000000153948	C2CC(NC1CC1)CCN2
CC(=O)[C@@H](C#N)c1ccccc1	ZINC000000080804	c1ccccc1
CNc1cccc(CN)c1	ZINC000000153945	c1ccccc1
CN(C)c1ccccc1CN	ZINC000000153941	c1ccccc1
C1CC1NC3CCN(Cc2ccccc2)CC3	ZINC000000153942	C1CC1NC3CCN(Cc2ccccc2)CC3
CC(C)[N@]1CCc2c(C1)sc(N)c2C(N)=O	ZINC000000216897	C2Cc1ccsc1CN2
Cc1n[nH]c(C)c1N(=O)=O	ZINC000000049624	c1cn[nH]c1
Cc1cc(=O)oc2c(C)c(O)ccc12	ZINC000000033985	O=c2ccc1ccccc1o2
COc2cc(NC(=O)Oc1ccccc1)ccc2C#N	ZINC000000033984	O=C(Nc1ccccc1)Oc2ccccc2
CC(C)(CO)Nc2nc1ccccc1[nH]2	ZINC000000513025	c2ccc1[nH]cnc1c2
N[C@H]1[C@@H](O)[C@@H](O)[C@H](CO)O[C@@H]1OCc2ccccc2	ZINC000000391447	C2CCC(OCc1ccccc1)OC2
C2CN(c1ccccc1)CCN2	ZINC000000120271	C2CN(c1ccccc1)CCN2
Brc1csc(C=O)c1	ZINC000000120279	c1ccsc1
C[C@@H]2CCC[N@@](C[C@H](O)COCc1ccc(Cl)cc1)C2	ZINC000000240344	C2CCN(CCCOCc1ccccc1)CC2
O=Cc1sc(=O)[nH]c1[n+]2ccccc2	ZINC000000039766	O=c2[nH]c([n+]1ccccc1)cs2
CN(C)CC(=O)c1c(C)[nH]c2cc(C)ccc12	ZINC000000117507	c2ccc1[nH]ccc1c2
CCN(CC)S(=O)(=O)c2cccc(C(=O)Nc1cccc(C)c1)c2	ZINC000000288997	O=C(Nc1ccccc1)c2ccccc2
COc1ccn(C)c(=O)c1C#N	ZINC000000113473	O=c1cccc[nH]1
Cc2csc(NC(=O)CNC1CC1)n2	ZINC000000325404	O=C(CNC1CC1)Nc2nccs2
Cc1ccc(NN=C(C#N)C(N)=O)c(C)c1	ZINC000000054659	c1ccccc1
CC(=O)N(c2ccc(C1CCCCC1)cc2)c3nc(C)cc(C)c3C#N	ZINC000000069700	C3CCC(c2ccc(Nc1ccccn1)cc2)CC3
O=c1ccc(=O)n1c2ccccc2N3CCCCC3	ZINC000000053680	O=c1ccc(=O)n1c2ccccc2N3CCCCC3
Cc2cccc(N1CCNCC1)c2	ZINC000000066066	C2CN(c1ccccc1)CCN2
Brc1c[nH]nc1C=NNC(=S)Nc2ccccc2	ZINC000000078370	S=C(NN=Cc1cc[nH]n1)Nc2ccccc2
COC(=O)c2[nH]c1ccccc1c2NC(=O)C[N@@](C)C3CCCCC3	ZINC000000522387	O=C(CNC1CCCCC1)Nc2c[nH]c3ccccc23
CC3CCN(CCNS(=O)(=O)c1cccc2cccnc12)CC3	ZINC000000423539	O=S(=O)(NCCN1CCCCC1)c2cccc3cccnc23
COc2cc(C)nc(n1cccn1)n2	ZINC000000009772	c2cnc(n1cccn1)nc2
CCN2CCC(N(CCO)Cc1ccccc1)CC2	ZINC000000227139	C2CC(NCc1ccccc1)CCN2
Clc2nc1cc(N(=O)=O)c(Cl)cc1[nH]2	ZINC000000018263	c2ccc1[nH]cnc1c2
O=C1CNC(=O)N1Cc2ccccc2	ZINC000000076794	O=C1CNC(=O)N1Cc2ccccc2
C=Cc3cccc2Oc1ccccc1S(=O)(=O)c23	ZINC000000005449	O=S3(=O)c1ccccc1Oc2ccccc23
COc2ccc(C(=O)NCc1ccc(Cl)cc1)cc2OC	ZINC000000033183	O=C(NCc1ccccc1)c2ccccc2
O=C2[C@@H](Cc1cnc[nH]1)NC(=S)N2c3ccccc3	ZINC000000403544	O=C2C(Cc1cnc[nH]1)NC(=S)N2c3ccccc3
Cc2ccc(NC(=O)c1ccccc1)s2	ZINC000000053350	O=C(Nc1cccs1)c2ccccc2
COc3ccc(c1ncc2ccccn12)cc3OC	ZINC000000086097	c3ccc(c1ncc2ccccn12)cc3
Brc2cnc(N1CCNCC1)nc2	ZINC000000083576	C2CN(c1ncccn1)CCN2
CCOC(=O)C1=C(C)N=C(SC)N(C)[C@@H]1c2ccccc2	ZINC000000083575	N1C=NC=CC1c2ccccc2
OC(=O)[C@H]1NCCc2ccccc12	ZINC000000135448	C2Cc1ccccc1CN2
COC(=O)c2c(C)[nH]c(C(=O)CN1CCC(C)CC1)c2C	ZINC000000090023	O=C(CN1CCCCC1)c2ccc[nH]2
C[C@@H]1C[N@@](C)CCC1=O	ZINC000000158393	O=C1CCNCC1
Cc2cc1scnc1cc2NC(N)=N	ZINC000000010110	c2ccc1scnc1c2
Cc2cn([C@@H]1C[C@@H](N)[C@H](CO)O1)c(=O)[nH]c2=O	ZINC000000402630	O=c2ccn(C1CCCO1)c(=O)[nH]2
CC(C)(C(=O)c1cccnc1)c2cccnc2	ZINC000000001728	O=C(Cc1cccnc1)c2cccnc2
CC(C)(C)OC(=O)CCN	ZINC000000402635	nonring
CCCN3CCC(N2CCN(c1ccccn1)CC2)CC3	ZINC000000219953	C3CC(N2CCN(c1ccccn1)CC2)CCN3
Cc2sc1ccccc1c2CC3=NCCN3	ZINC000000001721	C3CN=C(Cc1csc2ccccc12)N3
Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2	ZINC000000001723	c2ccc(c1cncnc1)cc2
CCN1CCC(N[C@@H](C)COC)CC1	ZINC000000279665	C1CCNCC1
N#CC(C#N)=c1ccc(=C(C#N)C#N)cc1	ZINC000000074105	C=c1ccc(=C)cc1
O=C2OCC(Nc1ccccc1)=C2	ZINC000000133694	O=C2OCC(Nc1ccccc1)=C2
Cc1cccc(C)c1NC(=O)C3(NC(=O)c2ccn[nH]2)CCCCC3	ZINC000000037358	O=C(NC2(C(=O)Nc1ccccc1)CCCCC2)c3ccn[nH]3
O[C@@H]1CCC2C1C3CC[C@@H](O)C23	ZINC000000392972	C1CC2C(C1)C3CCCC23
Clc2ccc(C=c1[nH]c(=S)[nH]c1=O)c(Cl)c2	ZINC000000055210	O=c1[nH]c(=S)[nH]c1=Cc2ccccc2
CCc2nc1ccccc1[nH]2	ZINC000000055212	c2ccc1[nH]cnc1c2
CCOc1ccc(C(F)(F)F)cc1NC(C)=O	ZINC000000052110	c1ccccc1
O=N(=O)c3ccc(CN2CCN(C[C@H]1CCC=CC1)CC2)cc3	ZINC000000178708	C3CC(CN2CCN(Cc1ccccc1)CC2)CC=C3
Nc1c(C#N)cnn1CC2CCCCC2	ZINC000000051053	C2CCC(Cn1cccn1)CC2
C2Oc1ccccc1O2	ZINC000000164507	C2Oc1ccccc1O2
CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3cccc4sccc34	ZINC000000607309	O=C(Cc1cccc2sccc12)NC3CCCCC3N4CCCC4
NC(=O)C2CCN(C(=O)c1ccc(Cl)cc1)CC2	ZINC000000052970	O=C(N1CCCCC1)c2ccccc2
C[N@]1[C@H]3CC[C@@H]1CC(=NOC(=O)c2ccc(F)cc2)C3	ZINC000000191120	O=C(ON=C1CC2CCC(C1)N2)c3ccccc3
COC(=O)Nc2ccc(S(=O)(=O)Nc1ccc(C)cc1)cc2	ZINC000000041963	O=S(=O)(Nc1ccccc1)c2ccccc2
COc2cc(C(=O)Nc1cccnc1)cc(OC)c2OC	ZINC000000041961	O=C(Nc1cccnc1)c2ccccc2
COc3ccc(OC)c(Nc2cc(c1ccccc1)nc(N)n2)c3	ZINC000000092771	N(c1ccccc1)c3cc(c2ccccc2)ncn3
O=c3n2[C@H]1C[C@H](C=C1)n2c(=O)c4ccccc34	ZINC000000040915	O=c3n2C1CC(C=C1)n2c(=O)c4ccccc34
CC(=O)c1cccc(Cl)c1O	ZINC000000157823	c1ccccc1
O=C2Cc1ccccc1N2C3CCNCC3	ZINC000000154390	O=C2Cc1ccccc1N2C3CCNCC3
Nc1ccc(C(O)=O)cn1	ZINC000000334127	c1ccncc1
CCOC(=O)C1=C(N)OC3=C([C@@H]1c2cccnc2)C(=O)CCC3	ZINC000000043709	O=C1CCCC3=C1C(c2cccnc2)C=CO3
CCOC(=O)c2oc1ccccc1c2NC(=O)CCN(CC)CC	ZINC000000051444	c2ccc1occc1c2
CCN(CC)CCn1c(OC)cc(=O)[nH]c1=O	ZINC000000247613	O=c1cc[nH]c(=O)[nH]1
CC(=O)c1cccc(NC(=O)C(F)(F)F)c1	ZINC000000035855	c1ccccc1
CCOC(=O)c1c(N)sc(C)c1CC	ZINC000000035858	c1ccsc1
Cc3cc(C)nc(N(Cn2c(=O)c1ccccc1c2=O)C#N)n3	ZINC000000034184	O=c2n(CNc1ncccn1)c(=O)c3ccccc23
Clc1ccccc1/C=C/N(=O)=O	ZINC000000096671	c1ccccc1
C[C@H](C[N@]1CCC[C@H](O)C1)c2ccccc2	ZINC000000217118	C2CCN(CCc1ccccc1)CC2
NNS(=O)(=O)c1ccc(F)cc1	ZINC000000067361	c1ccccc1
NC(=O)Cc1ccc(Br)cc1	ZINC000000030519	c1ccccc1
CC[C@@H](C)C(=O)Nc1nccs1	ZINC000000030517	c1cscn1
CC1=[N+](C)C(C)(C)N(O)C1(C)C	ZINC000000389545	C1NCN=C1
Clc4nc(Nc1cccc2ccccc12)nc(N3CCOCC3)n4	ZINC000000078978	C4CN(c3ncnc(Nc1cccc2ccccc12)n3)CCO4
CCOC(=O)c1cc(C#N)c(C)nc1N2CCNCC2	ZINC000000066372	C2CN(c1ccccn1)CCN2
NS(=O)(=O)Cc1ccccc1Cl	ZINC000000066377	c1ccccc1
CN(C)C(=O)c1cccc(C(F)(F)F)c1	ZINC000000057047	c1ccccc1
CCC[N@@](CCO)Cc1cc(Br)ccc1OC	ZINC000000277485	c1ccccc1
NC(=O)C2CCN(Cc1cccc(Br)c1)CC2	ZINC000000277480	C2CCN(Cc1ccccc1)CC2
O=N(=O)c2ccc1[nH]c(=O)[nH]c1c2	ZINC000000173832	O=c2[nH]c1ccccc1[nH]2
C[C@@](O)(C#CCN1CCCCC1)C2CC2	ZINC000000139697	C2CCN(CC#CCC1CC1)CC2
C[C@@H]4CCCN(C(=O)Cn2c(c1nonc1N)nc3ccccc23)C4	ZINC000000092197	O=C(Cn2c(c1cnon1)nc3ccccc23)N4CCCCC4
CC3(C)CC(Nc2noc(c1ccccc1)n2)CC(C)(C)N3	ZINC000000092195	C3CC(Nc2noc(c1ccccc1)n2)CCN3
CC(C)CNC(=O)c1cccnc1	ZINC000000029329	c1ccncc1
Cc1nnsc1C(=O)NC3CCN(Cc2ccccc2)CC3	ZINC000000119758	O=C(NC2CCN(Cc1ccccc1)CC2)c3cnns3
C3CCN(Cn1cnc2ccccc12)CC3	ZINC000000073682	C3CCN(Cn1cnc2ccccc12)CC3
CCOC(=O)C2=C(O)C(=O)N(c1ccccc1)C2	ZINC000000040941	O=C1C=CCN1c2ccccc2
CCS(=O)(=O)N2CCC[C@@H](C(=O)NCCN1CCCC1)C2	ZINC000000220603	O=C(NCCN1CCCC1)C2CCCNC2
CCOC(=O)CC12CN(C)CC(CC(=O)OCC)(CN(C)C1)C2=O	ZINC000000359984	O=C1C2CNCC1CNC2
CN(C)CC[C@](O)(c1ccccc1)c2cccnc2	ZINC000000228585	C(c1ccccc1)c2cccnc2
Cn2nnc([C@H](O)CN1CCCCC1)n2	ZINC000000248343	C2CCN(CCc1nn[nH]n1)CC2
CCOC(=O)Nc1cccc2nsnc12	ZINC000000034329	c2ccc1nsnc1c2
COc2cccc3ccc1c(C#N)cc(N(=O)=O)cc1oc23	ZINC000000034458	c3ccc2oc1ccccc1ccc2c3
Fc3cccc(NC(=O)Cn2c(=O)c1ccccc1c2=O)c3	ZINC000000042617	O=C(Cn2c(=O)c1ccccc1c2=O)Nc3ccccc3
O[C@](C#CCN1CCCC1)(C2CCCC2)c3ccccc3	ZINC000000198383	C3CCC(C(C#CCN1CCCC1)c2ccccc2)C3
CC3CCC(N2CCN(C(=O)c1ccc(N(=O)=O)cc1)CC2)CC3	ZINC000000285157	O=C(N2CCN(C1CCCCC1)CC2)c3ccccc3
C[C@H]2N1C(=S)NC(C)(C)C[C@]1(C)OC2=O	ZINC000000053167	O=C2CN1C(CCNC1=S)O2
CC(=O)Nc2nnc(CCS(=O)(=O)c1ccc(Cl)cc1)s2	ZINC000000053160	O=S(=O)(CCc1nncs1)c2ccccc2
NC(=O)C3CCN(Cc1c(O)ccc2ccccc12)CC3	ZINC000000032115	C3CCN(Cc1cccc2ccccc12)CC3
CCN2CCN(C(=S)c1cccc(O)c1)CC2	ZINC000000530377	S=C(N1CCNCC1)c2ccccc2
CC(C)N2C[C@@H](COc1ccccc1)OC2=O	ZINC000000050159	O=C2NCC(COc1ccccc1)O2
CCC[N@]1[C@H]3CC[C@@H]1CC(OC(=O)c2ccc(OC)c(OC)c2)C3	ZINC000000488024	O=C(OC1CC2CCC(C1)N2)c3ccccc3
O=N(=O)N=C3N[C@@H](OCc1ccccc1)[C@H](OCc2ccccc2)N3	ZINC000000201178	N=C3NC(OCc1ccccc1)C(OCc2ccccc2)N3
Cc2cccc(NC(=O)CNC(=O)OCc1ccccc1)c2	ZINC000000050153	O=C(CNC(=O)OCc1ccccc1)Nc2ccccc2
CC(=O)N3CCC(C(=O)NCc1c(C)onc1c2ccccc2)CC3	ZINC000000105547	O=C(NCc1conc1c2ccccc2)C3CCNCC3
Cc1noc(C)c1S(=O)(=O)N3CCC(C(=O)c2ccccc2)CC3	ZINC000000110174	O=C(C2CCN(S(=O)(=O)c1cnoc1)CC2)c3ccccc3
CCc3cc2c(N1CCN(C)CC1)ncnc2s3	ZINC000000236050	C3CN(c1ncnc2sccc12)CCN3
COC(=O)C1=C(C)NC(=O)N[C@@H]1[C@H]2CCC=CC2	ZINC000000083141	O=C2NC=CC(C1CCC=CC1)N2
Cc1c(Cl)cc(F)cc1S(N)(=O)=O	ZINC000000129003	c1ccccc1
CCOC(=O)C2[C@@H](c1cccs1)NC(=S)N=C2c3ccccc3	ZINC000000052746	S=C3NC(c1cccs1)CC(c2ccccc2)=N3
O=C(OC[C@H]1CCC[N@]2CCCC[C@H]12)c4cc3ccccc3oc4=O	ZINC000000052742	O=C(OCC1CCCN2CCCCC12)c4cc3ccccc3oc4=O
COc2ccc(CN(CCN(C)C)c1ncccn1)cc2	ZINC000000057513	C(Nc1ncccn1)c2ccccc2
COc2cc1CC[N@](C)Cc1cc2O	ZINC000000338406	C2Cc1ccccc1CN2
CN([C@@H]1CNC[C@H]1O)C(=O)C#C	ZINC000036261241	C1CCNC1
CC(C)CSc1nc(NC(C)=O)n[nH]1	ZINC000000033245	c1nc[nH]n1
CN(C)c2nc1nonc1nc2Nc3cccc(Cl)c3	ZINC000000033249	N(c1ccccc1)c3cnc2nonc2n3
Cc2cccc(NCN1C(=O)CCC1=O)n2	ZINC000000138632	O=C1CCC(=O)N1CNc2ccccn2
CC(=O)Nc1cccs1	ZINC000000281105	c1ccsc1
CN(C)C[C@H](c1ccc(O)cc1)C2(O)CCCCC2	ZINC000000009342	C2CCC(Cc1ccccc1)CC2
Fc3ccc(C(=O)NC2Cc1ccccc1C2)cc3	ZINC000000009340	O=C(NC2Cc1ccccc1C2)c3ccccc3
Cc1ncccc1C(=O)N[C@H]3CCc2ccccc2C3	ZINC000000009341	O=C(NC2CCc1ccccc1C2)c3cccnc3
Cc1ccccc1OC[C@@H]3CN(CN2CCCCC2)C(=O)O3	ZINC000000090378	O=C2OC(COc1ccccc1)CN2CN3CCCCC3
Nc1ccncc1Cl	ZINC000000333066	c1ccncc1
CC(=C)c1ccccc(=O)c1O	ZINC000000082544	O=c1cccccc1
CCOc2ccc(C(=O)Nc1ccccc1OC)cc2	ZINC000000029975	O=C(Nc1ccccc1)c2ccccc2
CS(=O)(=O)N2CCN(c1ccc(F)cc1)CC2	ZINC000000029520	C2CN(c1ccccc1)CCN2
CS(=O)(=O)N2CCc1ccccc1C2	ZINC000000029522	C2Cc1ccccc1CN2
CCc1ccccc1NC2=NS(=O)(=O)c3ccccc23	ZINC000000062761	O=S3(=O)N=C(Nc1ccccc1)c2ccccc23
CCN(CC)C(=O)c1ccc(OC)cc1	ZINC000000029526	c1ccccc1
OCc1cccs1	ZINC000000157467	c1ccsc1
COCc3cc(C)nc4sc2C(=O)N[C@H](c1ccco1)Nc2c34	ZINC000000054357	O=C2NC(c1ccco1)Nc3c2sc4ncccc34
Cc3cccc(N2CCC(/N=C/N1CCCCC1)=N2)c3	ZINC000000048140	C3CCN(C=NC2=NN(c1ccccc1)CC2)CC3
CCCc2nn(c1ccc(F)cc1)c(=O)c2=CNCC3CCNCC3	ZINC000000054352	O=c2n(c1ccccc1)ncc2=CNCC3CCNCC3
CN1[C@H]3CC[C@@H]1CC(NC2CCCCC2)C3	ZINC000000027588	C3CCC(NC1CC2CCC(C1)N2)CC3
OCc1cccc[n+]1Cc2ccccc2	ZINC000000480067	C(c1ccccc1)[n+]2ccccc2
CN2CCC(N(C)C/C=C/c1ccccc1)CC2	ZINC000000183260	C2CC(NCC=Cc1ccccc1)CCN2
Clc2nc1ccccn1c(=O)c2C=O	ZINC000000061484	O=c1ccnc2ccccn12
O[C@H](CN1CCCC1)Cn2ccc(C(F)(F)F)n2	ZINC000000117335	C2CCN(CCCn1cccn1)C2
CCc2nc1ccccc1c(=O)n2N	ZINC000000160299	O=c1[nH]cnc2ccccc12
COc2cc(C[N+](=O)c1ccccc1)ccc2O	ZINC000000159379	O=[N+](Cc1ccccc1)c2ccccc2
O=C(CCc1ccccc1)N2CCCCCC2	ZINC000000030741	O=C(CCc1ccccc1)N2CCCCCC2
O=c2oc1ccccc1c3n[nH]nc23	ZINC000000247579	O=c2oc1ccccc1c3n[nH]nc23
O=C(Cc1ccccc1N(=O)=O)NCc2ccncc2	ZINC000000184068	O=C(Cc1ccccc1)NCc2ccncc2
C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@]3CC[C@H](OC1=O)[C@H]23	ZINC000000000649	C=C1CCCC(=O)OCC2CCN3CCC(OC1=O)C23
Cc2cc(C)n(c1ccccc1N(=O)=O)n2	ZINC000000040370	c2ccc(n1cccn1)cc2
Cc4ccc3n2CCN[C@H]1CCCc(c12)c3c4	ZINC000000000641	C2CC1NCCn3c1c(C2)c4ccccc34
C[C@H]1CCC3=C(C1)c2c(OC(C)=O)cc(C)cc2OC3(C)C	ZINC000000000644	C1CCC2=C(C1)COc3ccccc23
N[C@@H](CC(=O)c1cc(Cl)ccc1N)C(O)=O	ZINC000000007614	c1ccccc1
OC(C(=O)OCCN1CCCCC1)(c2ccccc2)c3ccccc3	ZINC000000188746	O=C(OCCN1CCCCC1)C(c2ccccc2)c3ccccc3
COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c2ccc(F)cc2	ZINC000000067087	S=C2NC=CC(c1ccccc1)N2
CCN1CCC(N[C@@H](C)CCCC(C)(C)O)CC1	ZINC000000221181	C1CCNCC1
CCOC(=O)Nc1cccc(Cl)c1C	ZINC000000063642	c1ccccc1
Cc1ncccc1OC[C@@H]2CCCN2	ZINC000000006562	C2CNC(COc1cccnc1)C2
Fc1ccccc1CC(=O)Nc3c(Cl)c(=O)c2ccccc2c3=O	ZINC000000006561	O=C(Cc1ccccc1)Nc3cc(=O)c2ccccc2c3=O
Cc2cc(C)n(C(=O)c1c(F)cccc1F)n2	ZINC000000037162	O=C(c1ccccc1)n2cccn2
Clc2cnn(C(=O)c1cccc(N(=O)=O)c1)c2	ZINC000000037160	O=C(c1ccccc1)n2cccn2
COC(=O)c4ccc(C[n+]3cc(c1ccccc1)n2CCCc23)cc4	ZINC000000408972	C1Cc3n(C1)c(c2ccccc2)c[n+]3Cc4ccccc4
CN[C@@H](C)[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	ZINC000000000465	c1ccccc1
Cc2nc1ccccc1c(=O)n2C	ZINC000000102386	O=c1[nH]cnc2ccccc12
C[C@H](N(C)C)C(=O)c1ccccc1	ZINC000000000467	c1ccccc1
COC(=O)[C@@H](CN)c1c[nH]c2ccc(OC)cc12	ZINC000000000392	c2ccc1[nH]ccc1c2
CCC[N@]2CCC[C@H](c1cccc(O)c1)C2	ZINC000000000393	C2CNCC(c1ccccc1)C2
NCCc2nc(c1ccccc1)n[nH]2	ZINC000000262700	c2ccc(c1nc[nH]n1)cc2
Cc3cc2c(=C/c1ccc(C)o1)/oc(=O)c2c(=O)[nH]3	ZINC000000050634	O=c2[nH]ccc3c(=Cc1ccco1)oc(=O)c23
O=c3n(CC1=NCCc2ccccc12)c(=O)c4ccccc34	ZINC000000044190	O=c3n(CC1=NCCc2ccccc12)c(=O)c4ccccc34
Cn1cnc(N(=O)=O)c1SC[C@@H](O)CN2CCCCC2	ZINC000000346175	C2CCN(CCCSc1cnc[nH]1)CC2
Cc2ccc(NNC=c1c(C)c(C#N)c(=O)n(C)c1=O)cc2C	ZINC000000482688	O=c2ccc(=CNNc1ccccc1)c(=O)[nH]2
CC(C)NC(=O)C3CCN(C2CCN(C(=O)[C@@H]1CCCC[N@]1C)CC2)CC3	ZINC000011839086	O=C(C1CCCCN1)N3CCC(N2CCCCC2)CC3
CCn1c(=O)c(NC)nc2ccccc12	ZINC000000006705	O=c2cnc1ccccc1[nH]2
Cc2ccc(S(=O)(=O)N/N=C/c1cccc(N(=O)=O)c1)cc2	ZINC000000028349	O=S(=O)(NN=Cc1ccccc1)c2ccccc2
CCOC(=O)c1ccc(CN)o1	ZINC000000031836	c1ccoc1
Clc3ccc(NC(=O)CSc2nc1ccccc1s2)nc3	ZINC000000050981	O=C(CSc2nc1ccccc1s2)Nc3ccccn3
Clc4ccc3nc(CSc2nc1ccccn1n2)cn3c4	ZINC000000084651	C(Sc2nc1ccccn1n2)c4cn3ccccc3n4
Cc2nn(c1ccccc1)c(C)c2/N=C/c3c(O)ccc4ccccc34	ZINC000000032094	C(=Nc2cnn(c1ccccc1)c2)c3cccc4ccccc34
OC(=O)CCc2nc1ccccc1[nH]2	ZINC000000051581	c2ccc1[nH]cnc1c2
O=C(Nc1nccs1)[C@@H]2CCCN2C(=O)Oc3ccccc3	ZINC000000051854	O=C(Nc1nccs1)C2CCCN2C(=O)Oc3ccccc3
COc4ccc(Nc3nc(N1CCOCC1)c2ccccc2n3)cc4	ZINC000000072432	C4CN(c2nc(Nc1ccccc1)nc3ccccc23)CCO4
c2ccc(c1ncc[nH]1)cc2	ZINC000000333848	c2ccc(c1ncc[nH]1)cc2
CN(C)CCOc1ccccc1Cc2ccccc2	ZINC000000001931	C(c1ccccc1)c2ccccc2
C[C@@H](N)[C@@H](O)c1ccccc1	ZINC000000001930	c1ccccc1
CCOC(=O)c1[nH]cc(C)c1c2ccccc2	ZINC000000012226	c2ccc(c1cc[nH]c1)cc2
CN(C)CCNC(N)=S	ZINC000000333845	nonring
CC2(C)C[C@@]1(CCCNC1)CCO2	ZINC000000198738	C1CNCC2(C1)CCOCC2
CCOC(=O)[C@@H]1CNC(=O)C[C@@H]1C(=O)OCC	ZINC000000024927	O=C1CCCCN1
Fc3ccc(NC(=O)Cn2cnc1ccccc1c2=O)cc3	ZINC000000038324	O=C(Cn2cnc1ccccc1c2=O)Nc3ccccc3
C[C@@H](O)c2nc1ccccc1n2Cc3ccc(N(=O)=O)cc3	ZINC000000035133	C(c1ccccc1)n2cnc3ccccc23
Cc1c(N)cccc1Cl	ZINC000000157621	c1ccccc1
Cc2ccc(NC(=O)N1CCOCC1)cc2NC(=O)N3CCOCC3	ZINC000000039330	O=C(Nc2cccc(NC(=O)N1CCOCC1)c2)N3CCOCC3
O=C1SCC[C@H]1NC(=O)c2ccccc2	ZINC000000095977	O=C1SCCC1NC(=O)c2ccccc2
NC(=N)NN=Cc1ccccc1N(=O)=O	ZINC000000128278	c1ccccc1
C[C@@H](N)C(=O)Nc2ccc1ccccc1c2	ZINC000000057184	c2ccc1ccccc1c2
NC(=N)NN=Cc1ccc(N(=O)=O)cc1	ZINC000000128273	c1ccccc1
COc1ccnc(NN)n1	ZINC000000330579	c1cncnc1
CC(C)(C)OC(=O)Nc1cccc(CN)c1	ZINC000000153962	c1ccccc1
NC(=O)c2cc1cc(Br)cc(Br)c1oc2=O	ZINC000000248159	O=c2ccc1ccccc1o2
Fc3ccc(C(=O)Cn2nc(COc1ccc(Cl)cc1Cl)oc2=S)cc3	ZINC000000622808	O=C(Cn2nc(COc1ccccc1)oc2=S)c3ccccc3
C[C@@H](O)CNc2nc1ccccc1n2C	ZINC000000513008	c2ccc1[nH]cnc1c2
Cn1cccc1CNCc2cccnc2	ZINC000000360294	C(NCc1ccc[nH]1)c2cccnc2
CN2CCN(c1ccc(N)cc1F)CC2	ZINC000000169801	C2CN(c1ccccc1)CCN2
CCOC(=O)c1c(C)[nH]c(C)cc1=C(C#N)C#N	ZINC000000086651	C=c1cc[nH]cc1
CCOC(=O)[C@H]1C(=S)NC(N)=C(C#N)C12CCCCC2	ZINC000000032871	S=C2CC1(CCCCC1)C=CN2
NC(=O)c3ccc[n+](Cc1cccc2ccccc12)c3	ZINC000000359841	C(c1cccc2ccccc12)[n+]3ccccc3
CCOC(=O)C(=C/c1cc(N(=O)=O)c(CC)s1)\C#N	ZINC000000043815	c1ccsc1
Nc2n[nH]c(C(=O)N1CCCCC1)n2	ZINC000000039741	O=C(N1CCCCC1)c2ncn[nH]2
Cc2nnc(NC1CCCC1)s2	ZINC000000039740	C2CCC(Nc1nncs1)C2
Cc2ccc(N1CC(=O)NN=C1)cc2C	ZINC000000186614	O=C2CN(c1ccccc1)C=NN2
CCc1c(C)[nH]c(C)c1C(=O)OC	ZINC000000113329	c1cc[nH]c1
NC(=O)C2CCN(S(=O)(=O)c1ccc(Br)cc1)CC2	ZINC000000028979	O=S(=O)(N1CCCCC1)c2ccccc2
C3CCN(C2CCN(CCc1ccccc1)CC2)C3	ZINC000000182050	C3CCN(C2CCN(CCc1ccccc1)CC2)C3
CCCN2CCC(N1CCCC1)CC2	ZINC000000182052	C2CCN(C1CCNCC1)C2
Fc5ccc(N4CCN(CCCC(=O)N[C@@H]2c1ccccc1CSc3ccccc23)CC4)cc5	ZINC000000607979	O=C(CCCN2CCN(c1ccccc1)CC2)NC4c3ccccc3CSc5ccccc45
CCOC(=O)c2[nH]c1ccc(OC)cc1c2NC(=O)CNC	ZINC000000294041	c2ccc1[nH]ccc1c2
Cc3ccc2nc(SCc1ccc(N(=O)=O)cc1)nc(C)c2c3	ZINC000000069235	C(Sc2ncc1ccccc1n2)c3ccccc3
CCOC(=O)[C@@H]1CCCC[N@]1Cc2cc(C)c(OC)cc2C	ZINC000000239875	C2CCN(Cc1ccccc1)CC2
Cc3ccc(S(=O)(=O)N/N=C1\C[C@@H]2CC[C@@]1(C)C2(C)C)cc3	ZINC000000045271	O=S(=O)(NN=C1CC2CCC1C2)c3ccccc3
NC(=N)Nc2nc1ccc(Cl)cc1[nH]2	ZINC000000408378	c2ccc1[nH]cnc1c2
CCOc1ccc(CN)cc1	ZINC000000319246	c1ccccc1
O=Cc2cc1ccccc1o2	ZINC000000158629	c2ccc1occc1c2
NC(=O)Cc2nc(=O)c1ccccc1s2	ZINC000000009288	O=c1ncsc2ccccc12
NCc2nc1ccccc1s2	ZINC000000158627	c2ccc1scnc1c2
Clc3ccc2c(N1CCNCC1)ccnc2c3	ZINC000000171526	C3CN(c1ccnc2ccccc12)CCN3
O=Cc2coc1ccccc1c2=O	ZINC000000057727	O=c1ccoc2ccccc12
O=C(CC2CCN(CC1CC1)CC2)c3ccc(C#N)cc3	ZINC000000005428	O=C(CC2CCN(CC1CC1)CC2)c3ccccc3
CCc1cc(C#N)ccc1C#N	ZINC000000153330	c1ccccc1
C[n+]1cccc2[nH]c(=O)[nH]c12	ZINC000000493826	O=c2[nH]c1cccnc1[nH]2
C[C@@H](N)C(=O)N1CCCCC1	ZINC000000112499	C1CCNCC1
C2CCN(C1CCNCC1)CC2	ZINC000000388302	C2CCN(C1CCNCC1)CC2
COc1cnc(SC)nc1NN	ZINC000000332630	c1cncnc1
C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN	ZINC000000141845	c2ccc1[nH]ccc1c2
CCOC(=O)c3[nH]c2ccc(OCc1ccccc1)cc2c3C	ZINC000000036689	C(Oc2ccc1[nH]ccc1c2)c3ccccc3
NC(=O)C2CCN(C/C=C/c1ccccc1)CC2	ZINC000000219757	C2CCN(CC=Cc1ccccc1)CC2
CCOC(=O)C2CCN(C(=O)COc1ccc(C(C)(C)C)cc1)CC2	ZINC000000259676	O=C(COc1ccccc1)N2CCCCC2
COc4ccc3[C@@H]2C[C@H]1[C@H](CCCN1S(C)(=O)=O)C[N@]2CCc3c4	ZINC000000597368	C4CNC3CC1N(CCc2ccccc12)CC3C4
Oc2ccc(O)c(S(=O)(=O)c1ccccc1)c2	ZINC000000036686	O=S(=O)(c1ccccc1)c2ccccc2
Nc1cc(N)cc(N)c1	ZINC000000133679	c1ccccc1
O=C(CC#N)N1CCCCC1	ZINC000000074125	C1CCNCC1
Clc4cccc(NC(=O)C13CCN(CC1)Cc2ccccc23)c4	ZINC000000055580	O=C(Nc1ccccc1)C24CCN(CC2)Cc3ccccc34
CC3CCC(NC(=O)c2cc1ccccc1o2)CC3	ZINC000000026534	O=C(NC1CCCCC1)c3cc2ccccc2o3
COC(=O)c1ccc(Cl)cc1OC(=O)c2ccccc2	ZINC000000037086	O=C(Oc1ccccc1)c2ccccc2
O=C3N[C@@H]2NC(=O)N(c1ccccc1)[C@H]2N3	ZINC000000096929	O=C3NC2NC(=O)N(c1ccccc1)C2N3
Cc2cc([C@@H]1CCCN1)on2	ZINC000000008089	C2CNC(c1ccno1)C2
COC(=O)c2ccc(OC(=O)c1cc(Cl)ccc1OC)cc2	ZINC000000037088	O=C(Oc1ccccc1)c2ccccc2
OCCN4CCN(CC/C=c2/c1ccccc1sc3ccc(Cl)cc23)CC4	ZINC000000601293	C4CN(CCC=c2c1ccccc1sc3ccccc23)CCN4
NC(=O)C1(N)CCS(=O)(=O)CC1	ZINC000049732578	O=S1(=O)CCCCC1
CC1(C)C[N+](=O)C(C)(C)N1O	ZINC000000501283	O=[N+]1CCNC1
C[C@H]1CC(C)(C)N(C(C)=O)c2ccccc12	ZINC000000036975	C2CNc1ccccc1C2
COC(=O)c1cccnc1	ZINC000000001706	c1ccncc1
CN(C)S(=O)(=O)c2ccc(N)c(C(=O)N1CCN(C)CC1)c2	ZINC000000001255	O=C(N1CCNCC1)c2ccccc2
Cn3c(=O)[nH]c(=O)c4n2C[C@@H](c1ccc(Cl)cc1)Oc2nc34	ZINC000000041187	O=c4[nH]c(=O)c3n2CC(c1ccccc1)Oc2nc3[nH]4
C[C@@]34CCC1=C(CCc2cc(O)ccc12)[C@H]3CCC4=O	ZINC000000001258	O=C1CCC2C1CCC3=C2CCc4ccccc34
CC(=O)Nc1c(=O)[nH]c2cssc12	ZINC000000001259	O=c2cc1sscc1[nH]2
O[C@]2(C=C)Cc1ccccc1C2=O	ZINC000000336247	O=C1CCc2ccccc12
Cc2nnc(NC(=O)Cn1ccnc1)s2	ZINC000000033236	O=C(Cn1ccnc1)Nc2nncs2
NC(=O)CNC(=O)c1cccc(Cl)c1	ZINC000000039820	c1ccccc1
Oc3ccc2oc(c1ccc(O)c(O)c1)c(O)c(=O)c2c3	ZINC000000008662	O=c2cc(c1ccccc1)oc3ccccc23
COc3ccc2[nH]cc(CCNS(=O)(=O)c1ccc(C)cc1)c2c3	ZINC000000047123	O=S(=O)(NCCc1c[nH]c2ccccc12)c3ccccc3
CC(=O)O[C@H](c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	ZINC000000000072	c1ccccc1
O=C3CCc2cc1CCC(=O)Oc1cc2O3	ZINC000000040587	O=C3CCc2cc1CCC(=O)Oc1cc2O3
O[C@H](C(=O)c1ccccc1)c2ccccc2	ZINC000000000076	O=C(Cc1ccccc1)c2ccccc2
C[N@]1[C@H]3CC[C@@H]1CC(OC(=O)c2ccc(Cl)cc2)C3	ZINC000000191103	O=C(OC1CC2CCC(C1)N2)c3ccccc3
CCN3CCN(c2cc(SC(C)C)nc(c1ccc(OC)cc1)n2)CC3	ZINC000000631249	C3CN(c2ccnc(c1ccccc1)n2)CCN3
Fc1ccc(C=C(C#N)C#N)cc1	ZINC000000099963	c1ccccc1
C[C@@H](NCC2OCc1ccccc1CO2)c3ccccc3	ZINC000000203094	C(NCc1ccccc1)C3OCc2ccccc2CO3
O=N(=O)c2ccc(C1OCCO1)cc2	ZINC000000039829	C2COC(c1ccccc1)O2
CCOC(=O)c2ccc(C[N+]1(C)CCOCC1)o2	ZINC000000548996	C2CN(Cc1ccco1)CCO2
CCCC(=O)Nc3ccc2nc(SCC(=O)Nc1ccccc1C)sc2c3	ZINC000000624771	O=C(CSc2nc1ccccc1s2)Nc3ccccc3
CCOC(=O)[C@@H]2[C@@H](c1ccco1)[C@H](C(=O)OCC)[C@](C)(O)CC2=O	ZINC000000044117	O=C2CCCC(c1ccco1)C2
COc2ccc(N(C)C(=O)CCN1[C@@H](C)CC(C)(C)NC1=S)cc2	ZINC000000212520	O=C(CCN1CCCNC1=S)Nc2ccccc2
CC(C)c2ccc(c1csc(N)n1)cc2	ZINC000000035831	c2ccc(c1cscn1)cc2
C[C@@H]2C[N@](C)C[C@](OC(C)=O)(c1ccccc1)C2	ZINC000000051466	C2CNCC(c1ccccc1)C2
CC1(C)C[C@@H](C(N)=O)C(C)(C)N1	ZINC000000155932	C1CCNC1
COC(=O)c1cc(Br)cc(Br)c1N	ZINC000000039100	c1ccccc1
Cn2c(=O)[nH]c(=O)c3n(CCNC1=NCCCCC1)cnc23	ZINC000000093807	O=c3[nH]c(=O)c2n(CCNC1=NCCCCC1)cnc2[nH]3
Cc1ccc(CSC(N)=N)cc1	ZINC000000096836	c1ccccc1
C[C@@H]1N[C@@H](C(O)=O)Cc2c1[nH]c3ccccc23	ZINC000000037832	C1Cc2c(CN1)[nH]c3ccccc23
CC(C)(C)NCC(=O)c1c[nH]c2ccccc12	ZINC000000093801	c2ccc1[nH]ccc1c2
COc2cc(OC)cc(C(=O)N1CCN(C)CC1)c2	ZINC000000180934	O=C(N1CCNCC1)c2ccccc2
COc4c1OCOc1cc3CCN(C)[C@H](C#CCN2CCCC2)c34	ZINC000000487088	C4CCN(CC#CC2NCCc3cc1OCOc1cc23)C4
CC(=O)Oc4ccc3[nH]c(C(=O)c2cc1ccccc1[nH]2)cc3c4	ZINC000000024264	O=C(c2cc1ccccc1[nH]2)c4cc3ccccc3[nH]4
C[N@]1[C@H]3CC[C@@H]1CC(NC(=O)Nc2ccc(Br)cc2)C3	ZINC000000135951	O=C(NC1CC2CCC(C1)N2)Nc3ccccc3
Fc1ccccc1C(=O)Nc3nnc(Cc2ccc(Cl)cc2)s3	ZINC000000181009	O=C(Nc2nnc(Cc1ccccc1)s2)c3ccccc3
CN(C)S(=O)(=O)c2ccc(C(=O)Nc1cc(C)on1)cc2	ZINC000000089485	O=C(Nc1ccon1)c2ccccc2
C[N@]1[C@H]3CC[C@@H]1CC(NC(=O)Nc2ccc(F)cc2F)C3	ZINC000000135956	O=C(NC1CC2CCC(C1)N2)Nc3ccccc3
CC(C)(C)OC(=O)CCN1CCC(C(N)=O)CC1	ZINC000000053539	C1CCNCC1
Clc1ccccc1n3nc(c2ccccc2)[nH]c3=O	ZINC000000024269	O=c2[nH]c(c1ccccc1)nn2c3ccccc3
C[N+](C)(C)Cc1ccc(N(=O)=O)cc1O	ZINC000000294699	c1ccccc1
C[N@]1CCc4c(C1)sc3N[C@H](c2ccccc2N(=O)=O)NC(=O)c34	ZINC000000544753	O=C3NC(c1ccccc1)Nc4sc2CNCCc2c34
CC(=O)Nc2ccc1sc(C)[n+](CCO)c1c2	ZINC000000297003	c2ccc1scnc1c2
OCC[n+]1ccsc1	ZINC000000156914	c1cscn1
CC2=CC(C)(C)N(C(=O)CSc1nccn1C)c3cc(C)ccc23	ZINC000000085323	O=C(CSc1ncc[nH]1)N2CC=Cc3ccccc23
CC(C)CCNC(=O)Cc1cccs1	ZINC000000030820	c1ccsc1
COc1ccc(Cl)cc1C(=O)Nc2ccc(C#N)cc2	ZINC000000030826	O=C(Nc1ccccc1)c2ccccc2
CCOC(=O)c3cc[n+](Cc2ccc1nsnc1c2)cc3	ZINC000000364117	C(c2ccc1nsnc1c2)[n+]3ccccc3
CN(C)OC(=O)c1ccc[n+]2ccn(C)c12	ZINC000000387450	c2cc[n+]1cc[nH]c1c2
CN(C)C(=O)OCCc1n(C)cc[n+]1C	ZINC000000387453	c1c[nH]cn1
CNC(=O)OCc1n(C)cc[n+]1C	ZINC000000387455	c1c[nH]cn1
Brc3ccc(C=c2c(=O)c1ccccc1c2=O)o3	ZINC000000032687	O=c2c(=Cc1ccco1)c(=O)c3ccccc23
O=C(NCC1CC1)c3cc2ccccc2oc3=O	ZINC000000091182	O=C(NCC1CC1)c3cc2ccccc2oc3=O
C[C@H](Oc1ccc(Cl)c(C)c1)c3nc(c2nonc2N)no3	ZINC000000032682	C(Oc1ccccc1)c3nc(c2cnon2)no3
COc1ccc(C(=O)NCC(N)=O)cc1	ZINC000000040120	c1ccccc1
Cn3c(SCc1ccccc1F)nc2ccccc2c3=O	ZINC000000034300	O=c2[nH]c(SCc1ccccc1)nc3ccccc23
Clc1ccccc1c2csc3[nH]cnc(=O)c23	ZINC000000087466	O=c2nc[nH]c3scc(c1ccccc1)c23
Cc3ccc(CN2C(=O)c1ccccc1S2(=O)=O)c(C)c3	ZINC000000042674	O=C2N(Cc1ccccc1)S(=O)(=O)c3ccccc23
Cc3ccc2c(NC(=O)C1CC1)c(C)ccc2n3	ZINC000000034309	O=C(Nc1cccc2ncccc12)C3CC3
NC[C@@H](c1ccccc1)c2c[nH]c3ccccc23	ZINC000000110239	C(c1ccccc1)c2c[nH]c3ccccc23
COc4ccc([N+]2=C1CCCCN1C[C@@]2(O)c3ccc(F)cc3)cc4	ZINC000000392165	C4CCC3=[N+](c1ccccc1)C(c2ccccc2)CN3C4
CC(=O)N3CCC(C(=O)Nc2ccc1nc(C)ccc1c2)CC3	ZINC000000105562	O=C(Nc2ccc1ncccc1c2)C3CCNCC3
Cc2cnc4c1ccccc1c(=O)c3nccc2c34	ZINC000000005632	O=c2c1ccccc1c4nccc3ccnc2c34
COc1ccccc1c2nn(C)c3ccccc23	ZINC000000035308	c3ccc(c1n[nH]c2ccccc12)cc3
CC1(C)[C@H]2C[C@@H]1[C@](C)(O)C(=O)C2	ZINC000000391091	O=C2CC1CC(C1)C2
Cc2cc(N)c1ccccc1n2	ZINC000000157475	c2ccc1ncccc1c2
Cn2nc(c1ccc(F)cc1)c3ccccc23	ZINC000000035304	c3ccc(c1n[nH]c2ccccc12)cc3
Cn2c(COc1ccccc1O)[n+](C)c3ccccc23	ZINC000000390949	C(Oc1ccccc1)c3nc2ccccc2[nH]3
CN(N)C(=N)c1ccccc1	ZINC000000390948	c1ccccc1
O=N(=O)c3cccc(c2noc(CN1CCCC1)n2)c3	ZINC000000139011	C3CCN(Cc2nc(c1ccccc1)no2)C3
COc3ccc(OC)c(\C=c2/c(=O)[nH]n(c1ccccc1)c2=O)c3	ZINC000000088358	O=c2[nH]n(c1ccccc1)c(=O)c2=Cc3ccccc3
c2cc[n+]1cccnc1c2	ZINC000000390945	c2cc[n+]1cccnc1c2
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c2ccc(OC)cc2	ZINC000000185551	O=C(Nc1ccccc1)c2ccccc2
CC(=O)C(=Cc1ccc(O)cc1)C(C)=O	ZINC000000014894	c1ccccc1
COc1ccc(C=C(C(C)=O)C(C)=O)cc1	ZINC000000014895	c1ccccc1
CCOC(=O)C(Sc2nc(c1ccc(Cl)cc1)n[nH]2)=C(C)O	ZINC000000124220	c2ccc(c1nc[nH]n1)cc2
NC(=O)[C@@H]1CCCN1	ZINC000000391898	C1CCNC1
C[C@H]1CC(=O)NN=C1c2cccs2	ZINC000000078722	O=C2CCC(c1cccs1)=NN2
Cn1c(CN)nc2ccccc12	ZINC000000307768	c2ccc1[nH]cnc1c2
O=S(=O)(N[C@H]1CCN(C#N)C1)c2ccccc2	ZINC000000008873	O=S(=O)(NC1CCNC1)c2ccccc2
COc3ccc([C@H](O)c2nc1ccccc1n2C(C)C)cc3	ZINC000000052728	C(c1ccccc1)c3nc2ccccc2[nH]3
Cc1cc(C(C)(C)C)cc(C)c1CC2=NCCN2	ZINC000000057534	C2CN=C(Cc1ccccc1)N2
Nc1ccc(Br)c(C#N)c1	ZINC000000330964	c1ccccc1
O=C2Cc1ccccc1N2c3ccccc3	ZINC000000041212	O=C2Cc1ccccc1N2c3ccccc3
CC(C)(C)c1ccc(N)c(N)c1	ZINC000000162999	c1ccccc1
Cc3ccc(C(=O)O/N=C(/N1CCOCC1)c2nonc2N)cc3	ZINC000000062915	O=C(ON=C(N1CCOCC1)c2cnon2)c3ccccc3
Cn1c(N)nc2ccccc12	ZINC000000163724	c2ccc1[nH]cnc1c2
CCOC(=O)c1ncn3c1COc2cc(F)ccc23	ZINC000000016825	C2Oc1ccccc1n3cncc23
CCCN(Cc1ccccc1)C(=O)c3ccc2nc(C)c(C)nc2c3	ZINC000000049180	O=C(NCc1ccccc1)c3ccc2nccnc2c3
CC(C)(C)[C@@]1(O)C=C(C(F)(F)F)NN1C(=O)c2ccccc2F	ZINC000000033225	O=C(N1CC=CN1)c2ccccc2
CO[C@@H]3CN[C@@H](C(=O)N2CCC(CN1CCCC1)CC2)C3	ZINC000040636604	O=C(C1CCCN1)N3CCC(CN2CCCC2)CC3
CN3CCN(c2cc(=O)n(c1ccc(Cl)cc1)c(=O)[nH]2)CC3	ZINC000000252472	O=c2cc(N1CCNCC1)[nH]c(=O)n2c3ccccc3
O=C(CSC1=NCCS1)Nc3sc2CCCCc2c3C#N	ZINC000000033221	O=C(CSC1=NCCS1)Nc3cc2CCCCc2s3
COC(=O)C1CCNCC1	ZINC000000403131	C1CCNCC1
Nc1ccccc1n2cccc2	ZINC000000137173	c2ccc(n1cccc1)cc2
CC(C)c1ccc(NC(=S)NC(N)=N)cc1	ZINC000000138303	c1ccccc1
COC(=O)C([C@@H](Nc1ccccc1)c2ccccc2)C(=O)OC	ZINC000000069917	C(Nc1ccccc1)c2ccccc2
Cc1nc(N)sc1CCN	ZINC000000005099	c1cscn1
Cc1cc(N)ccc1F	ZINC000000394668	c1ccccc1
O=C(Nc2ccc1OCOc1c2)c3ccco3	ZINC000000027610	O=C(Nc2ccc1OCOc1c2)c3ccco3
Cc1[n+](C)ccc2c(N(=O)=O)cccc12	ZINC000000270662	c2ccc1cnccc1c2
Clc2ccc(OCC(=O)Nc1nccs1)c(Cl)c2	ZINC000000027612	O=C(COc1ccccc1)Nc2nccs2
COc2ccc1[n+](C)cccc1c2	ZINC000000270660	c2ccc1ncccc1c2
N=C2N[C@H](c1ccccc1)Nc3ccccc23	ZINC000000022225	N=C2NC(c1ccccc1)Nc3ccccc23
C[C@@H]3CCc2[nH]c1ccccc1c(=O)c2C3	ZINC000000128482	O=c2c1CCCCc1[nH]c3ccccc23
NCC1(CC(O)=O)CCCCC1	ZINC000000004949	C1CCCCC1
CCN(CC)CCCn2c1ccccc1sc3ccc(Cl)cc23	ZINC000000001135	c3ccc2sc1ccccc1[nH]c2c3
CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1	ZINC000000001136	c1ccccc1
FC(F)(F)c3ccc(NC(=O)c1cccc2cccnc12)cc3	ZINC000000023939	O=C(Nc1ccccc1)c2cccc3cccnc23
COc3ccc(C(=O)C=CNc2ccc(Oc1ccccc1)cc2)cc3	ZINC000000304239	O=C(C=CNc2ccc(Oc1ccccc1)cc2)c3ccccc3
CC[N@]1CCC[C@H]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC	ZINC000000001395	O=C(NCC1CCCN1)c2ccccc2
CCN(Cc1ccccc1)S(C)(=O)=O	ZINC000000029508	c1ccccc1
C[C@H]1CC[C@@H](O)C[C@@H]1C	ZINC000001690973	C1CCCCC1
Fc1ccc(N(=O)=O)cc1NC(=O)c2ccccc2	ZINC000000038683	O=C(Nc1ccccc1)c2ccccc2
O=C(Nc1nccs1)\C=C\c2ccccc2	ZINC000000038680	O=C(Nc1nccs1)C=Cc2ccccc2
CN(C)CCc2c[nH]c3ccc(Cn1cncn1)cc23	ZINC000000005895	C(c2ccc1[nH]ccc1c2)n3cncn3
FC(F)(F)C1CCC(=O)CC1	ZINC000000157897	O=C1CCCCC1
Cc1ccccc1CN3CCN(Cc2cccc(N(=O)=O)c2)CC3	ZINC000000351212	C2CN(Cc1ccccc1)CCN2Cc3ccccc3
OC[C@@H]1CCC[N@]1C3C2CC4CC(C2)CC3C4	ZINC000000277364	C4CCN(C2C1CC3CC(C1)CC2C3)C4
CCOC(=O)C2CCN(C/C=C/c1ccccc1N(=O)=O)CC2	ZINC000000278788	C2CCN(CC=Cc1ccccc1)CC2
Fc3cccc(COc2ccc(CN[C@@H]1CCNC1=O)cc2)c3	ZINC000000022080	O=C1NCCC1NCc3ccc(OCc2ccccc2)cc3
CC(C)(O)C#CC[N+]1(CC=C)CCOCC1	ZINC000000200837	C1COCCN1
C[C@H](OC(=O)C1=C(C)NC(=O)N[C@@H]1c2ccccc2)C(C)(C)C	ZINC000000036761	O=C2NC=CC(c1ccccc1)N2
CCN[C@H](Cc1ccccn1)c2sccc2C	ZINC000000015857	C(Cc1cccs1)c2ccccn2
CCN4CCN(c2ncnc3n(c1cccc(C)c1)ncc23)CC4	ZINC000000467991	C4CN(c2ncnc3n(c1ccccc1)ncc23)CCN4
COc2ccc1c(C)cc(=O)oc1c2	ZINC000000058049	O=c2ccc1ccccc1o2
COC(=O)[C@@H]2[C@@H](c1ccccc1N(=O)=O)C(C#N)=C(SC)NC2=O	ZINC000000189568	O=C2CC(c1ccccc1)C=CN2
COc2ccc(n1cnnn1)cc2	ZINC000000055392	c2ccc(n1cnnn1)cc2
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c2ccccc2OC	ZINC000000184044	N2C=CC(c1ccccc1)C=C2
CN[C@H](Cc1ccccc1N)c2sccc2C	ZINC000000008413	C(Cc1cccs1)c2ccccc2
CCC(=O)c3ccc2sc1ccccc1n(C[C@H](C)N(C)C)c2c3	ZINC000000000669	c3ccc2sc1ccccc1[nH]c2c3
CCOC(=O)N3CCN(c2nc1ccccc1n2C)CC3	ZINC000000007947	C3CN(c2nc1ccccc1[nH]2)CCN3
CC[C@H](OC(N)=O)C1CCCCC1	ZINC000000000660	C1CCCCC1
O=C2NCCO[C@@H]1CCCN[C@H]12	ZINC000584883392	O=C2NCCOC1CCCNC12
CC2(C)CC(NC(=O)c1cncc(Br)c1)CC(C)(C)N2	ZINC000000092326	O=C(NC1CCNCC1)c2cccnc2
COc1ccccc1N(CC(N)=O)S(=O)(=O)c2ccccc2	ZINC000000055020	O=S(=O)(Nc1ccccc1)c2ccccc2
CCOC(=O)c1c(CN(C)C)n(C)c2ccc(OC(C)=O)cc12	ZINC000000523645	c2ccc1[nH]ccc1c2
C[C@H]3C[C@@H](C)C[N@@](Cc2nc(N)nc(Nc1ccccc1)n2)C3	ZINC000000545251	C3CCN(Cc2ncnc(Nc1ccccc1)n2)CC3
O[C@@]4(c1ccc(Cl)cc1)N2CCN=C2c3ccccc34	ZINC000000000440	C4CN3C(c1ccccc1)c2ccccc2C3=N4
COc2ccc([C@@H]1NC(=O)O[C@@H]1CO)cc2	ZINC000000007490	O=C2NC(c1ccccc1)CO2
CCOC(=O)c1ccc(CN)cc1	ZINC000000040134	c1ccccc1
Cc2ccc(S(=O)(=O)CCc1ccncc1)cc2	ZINC000000050617	O=S(=O)(CCc1ccncc1)c2ccccc2
O=C3OC1(CCCCC1)C(NCc2ccccc2)=C3	ZINC000000050614	O=C3OC1(CCCCC1)C(NCc2ccccc2)=C3
COc1ccc(CCN(C)C(=S)NN)cc1OC	ZINC000000028367	c1ccccc1
CCOC(=O)c3c(NC(=O)c1cnccn1)sc2CCCc23	ZINC000000031814	O=C(Nc2cc1CCCc1s2)c3cnccn3
Cc4ccc3CCN(c1ncnc2[nH]ccc12)c3c4	ZINC000000009930	C2Cc1ccccc1N2c3ncnc4[nH]ccc34
Fc3ccc(NC(=O)C[C@@H]2N[C@H]1CCCC[C@@H]1NC2=O)cc3	ZINC000000543361	O=C(CC2NC1CCCCC1NC2=O)Nc3ccccc3
COc3ccc2cc(C(C)=O)cc(CCNC(=O)C1CC1)c2c3	ZINC000000020154	O=C(NCCc1cccc2ccccc12)C3CC3
COc1cccc(OC)c1C(=O)c2cc[n+](C)cc2	ZINC000000142983	O=C(c1ccccc1)c2ccncc2
CN(C)CC#CC1(O)CCCCC1	ZINC000000123369	C1CCCCC1
C3CN=C([C@H]1OCCc2ccccc12)N3	ZINC000000197828	C3CN=C(C1OCCc2ccccc12)N3
Cc2ccc(NC(=O)C[C@@H](NCc1ccccc1)C(O)=O)cc2Cl	ZINC000000195689	O=C(CCNCc1ccccc1)Nc2ccccc2
C[C@@](O)(C#CC(O)(c1ccccc1)c2ccccc2)c3cccs3	ZINC000000077176	C(C#CC(c1ccccc1)c2ccccc2)c3cccs3
COc3cc2CC[N+](C)(C)[C@H](Cc1ccc(O)cc1)c2cc3OC	ZINC000000338168	C3Cc1ccccc1C(Cc2ccccc2)N3
CN2CCN(/N=C/c1ccc(Cl)cc1)CC2	ZINC000000435102	C2CN(N=Cc1ccccc1)CCN2
FC(F)(F)CN2Cc1ccccc1C2=N	ZINC000000084679	N=C1NCc2ccccc12
Cc2cc(NC(=O)c1ccco1)no2	ZINC000000048832	O=C(Nc1ccon1)c2ccco2
CC[C@@H](O)C#CCN1CCCCC1	ZINC000000268607	C1CCNCC1
Brc3ccc(c2noc([C@H]1CCCNC1)n2)cc3	ZINC000000324392	C3CNCC(c2nc(c1ccccc1)no2)C3
CC(C)NC[C@H](O)COc1ccc(C)cc1	ZINC000000296740	c1ccccc1
CN(C)CC#C[C@@H]1CCCN1C(C)=O	ZINC000000012240	C1CCNC1
Cc3ccc(C(=O)Nc2ccc(Cc1ccncc1)cc2)cc3N(=O)=O	ZINC000000266733	O=C(Nc2ccc(Cc1ccncc1)cc2)c3ccccc3
Fc1cccc(Cl)c1COc3ccc(\C=N\n2cnnc2)cc3	ZINC000000049401	C(Oc2ccc(C=Nn1cnnc1)cc2)c3ccccc3
OC(=O)[C@H]2CN(C1CCCC1)C(=O)C2	ZINC000000266734	O=C1CCCN1C2CCCC2
N#CC[C@@]2(C#N)CCc1ccccc12	ZINC000000103508	C2Cc1ccccc1C2
Cc3cc(C)c2nc(C)cc(Nc1ccc(Br)cc1)c2c3	ZINC000000349822	N(c1ccccc1)c2ccnc3ccccc23
O=C2CN(c1ccccc1)C(=O)N2	ZINC000000225681	O=C2CN(c1ccccc1)C(=O)N2
Clc2ccc(c1cc(=O)[nH][nH]1)cc2	ZINC000000035154	O=c2cc(c1ccccc1)[nH][nH]2
CCN4CCN(c2nc(c1cccnc1)nc3ccccc23)CC4	ZINC000000038303	C4CN(c2nc(c1cccnc1)nc3ccccc23)CCN4
CCOC(=O)c1c(C)nc2cc(C)ccn12	ZINC000000047740	c2ccn1ccnc1c2
CN(C)CCNC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000149980	c1ccccc1
C[n+]2cnc3n(Cc1ccccc1)cnc(N)c23	ZINC000000330551	C(c1ccccc1)n2cncc3ncnc23
CCOC(=O)CN2CCC(Cc1ccccc1)CC2	ZINC000000208038	C2CC(Cc1ccccc1)CCN2
COc2nc(NN)nc(N1CCCCC1)n2	ZINC000000109026	C2CCN(c1ncncn1)CC2
O=C5C[C@@H]3OCC=C2C[N@]1CC[C@@]47[C@@H]1C[C@@H]2[C@@H]3[C@@H]4N5c6ccccc67	ZINC000000119434	O=C5CC3OCC=C2CN1CCC47C1CC2C3C4N5c6ccccc67
Cc2ccc1[nH]c(CCN)cc1c2	ZINC000000119433	c2ccc1[nH]ccc1c2
O=C(C#Cc1ccco1)c2ccccc2	ZINC000000015668	O=C(C#Cc1ccco1)c2ccccc2
Fc1cccc2[nH]c(=O)oc(=O)c12	ZINC000000169825	O=c2[nH]c1ccccc1c(=O)o2
C2CO[C@H](CNCc1ccccn1)C2	ZINC000000299729	C2COC(CNCc1ccccn1)C2
CC(C)C[C@@H](N)CO	ZINC000000391150	nonring
O=C(Cn2nnc(c1ccccc1)n2)OCc3ccc(N(=O)=O)cc3	ZINC000000032890	O=C(Cn2nnc(c1ccccc1)n2)OCc3ccccc3
Cc2cc(O)c(c1cc[nH]n1)c(=O)o2	ZINC000000075847	O=c1occcc1c2cc[nH]n2
OCCN1CCOCCOCCOCC1	ZINC000000254786	C1COCCOCCOCCN1
O=C1CNC(=O)C1=CNNc2ccccc2	ZINC000000179040	O=C1CNC(=O)C1=CNNc2ccccc2
CNC(=S)[C@]2(c1cccnc1)CCCCC2=O	ZINC000000010523	O=C1CCCCC1c2cccnc2
CC(=O)c1[nH]c(C)cc1C	ZINC000000165826	c1cc[nH]c1
CC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000000071436	c1ccccc1
Nc2ncc(c1ccccc1)nc2C#N	ZINC000000113301	c2ccc(c1cnccn1)cc2
Cn1ncc(N(=O)=O)c1C(=O)Nc2cccc(C(F)(F)F)c2	ZINC000000033416	O=C(Nc1ccccc1)c2ccn[nH]2
Nc2c([n+]1ccccc1)c(=O)[nH]c3ccccc23	ZINC000000408357	O=c2[nH]c1ccccc1cc2[n+]3ccccc3
O=C(N2CCN(C1CCCC1)CC2)c3cccnc3	ZINC000000239811	O=C(N2CCN(C1CCCC1)CC2)c3cccnc3
NCCC13C[C@@H]2C[C@H](C1)CC(C(O)=O)(C2)C3	ZINC000000053640	C1C2CC3CC1CC(C2)C3
CN(C)S(=O)(=O)c2ccc1N(C(C)=O)CCc1c2	ZINC000000053643	C2Cc1ccccc1N2
CN3CCN(c2cc(C)nc(N1CCOCC1)n2)CC3	ZINC000000073496	C3CN(c2ccnc(N1CCOCC1)n2)CCN3
CCc1cccc(C)c1NC(=O)Cn3c(=O)c2ccccc2c3=O	ZINC000000045212	O=C(Cn2c(=O)c1ccccc1c2=O)Nc3ccccc3
NC(=N)NCc1ccccc1Br	ZINC000000494671	c1ccccc1
CC(C)(C)NC[C@@H](O)COc2ccc(c1csnn1)cc2	ZINC000000107515	c2ccc(c1csnn1)cc2
O=Cc2ccc1ccccc1n2	ZINC000000158602	c2ccc1ncccc1c2
OCc2ccc1ccccc1n2	ZINC000000158603	c2ccc1ncccc1c2
CCOC(=O)c1c(C)c(C)sc1NC(=S)N2CCN(C)CC2	ZINC000000160373	S=C(Nc1cccs1)N2CCNCC2
O=N(=O)c3ccc(c2nnn(CCN1CCCCC1)n2)cc3	ZINC000000410845	C3CCN(CCn2nnc(c1ccccc1)n2)CC3
Fc5ccc4c(CCCN3CCC(n1c(=O)[nH]c2ccccc12)CC3)noc4c5	ZINC000000538067	O=c2[nH]c1ccccc1n2C5CCN(CCCc3noc4ccccc34)CC5
CNc3cc(OC)c(C(=O)N[C@@H]2CC[N@@](Cc1ccccc1)[C@@H]2C)cc3Cl	ZINC000000538069	O=C(NC2CCN(Cc1ccccc1)C2)c3ccccc3
Cc3noc([C@H]1C[C@H]2CC[C@@H]1N2)n3	ZINC000000023545	C1CC2NC1CC2c3ncno3
Cc1ccccc1Nc3nc(c2ccc(C)c(N(=O)=O)c2)cs3	ZINC000000028955	N(c1ccccc1)c3nc(c2ccccc2)cs3
CC(C)Oc1ccc([C@@H](CN)CC(N)=O)cc1	ZINC000000518358	c1ccccc1
Cc2ccc(F)c(C1=NCCN1)c2	ZINC000000026886	C2CN=C(c1ccccc1)N2
CC(C)C[C@H](CN)CC(O)=O	ZINC000000005152	nonring
CC3(C)OC(=O)N2Cc1cccc[n+]1C[C@@]23O	ZINC000000053398	O=C3OCC2C[n+]1ccccc1CN23
CCN3CCN(c1nc(C)nc2n(C)c(=S)sc12)CC3	ZINC000000118187	S=c3[nH]c2ncnc(N1CCNCC1)c2s3
CCOC(=O)N1CCNCC1	ZINC000000155007	C1CNCCN1
C[N+]2(C)CCN(c1ccccc1)CC2	ZINC000000155006	C2CN(c1ccccc1)CCN2
CN(C)CCC(=O)c2ccc1OCOc1c2	ZINC000000244015	C2Oc1ccccc1O2
CN(C)c1ccc(\C=N\N)cc1	ZINC000000129610	c1ccccc1
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccccc2	ZINC000000037312	O=S(=O)(N1CCCC1)c2ccccc2
CN(C)Cc2c(C#N)c1ccccc1n2C	ZINC000000054887	c2ccc1[nH]ccc1c2
CCc1cc(=O)oc2cc(O)ccc12	ZINC000000090067	O=c2ccc1ccccc1o2
CNC(=O)NC(=O)c1cnccc1C(F)(F)F	ZINC000000077773	c1ccncc1
Cc1ccccc1C2(C#N)CCNCC2	ZINC000000022414	C2CC(c1ccccc1)CCN2
COC(=O)C2(c1ccccc1Cl)CCNCC2	ZINC000000022417	C2CC(c1ccccc1)CCN2
CC1(C)C(O)C(C)(C)C1=O	ZINC000000393008	O=C1CCC1
C[C@@H]1SC(=N)N[C@H]1Cc2ccncc2	ZINC000000027428	N=C2NC(Cc1ccncc1)CS2
CCC(Br)(CC)C(=O)NC(N)=O	ZINC000000001093	nonring
CN(C)c2ccc([C@@H]1NC(=O)NC(C)=C1C(=O)OC(C)(C)C)cc2	ZINC000000074149	O=C2NC=CC(c1ccccc1)N2
Cc2ccc1ncoc1c2	ZINC000000163970	c2ccc1ocnc1c2
Cc3ccc(Sc2nc1c(C)cccn1c(=O)c2\C=N\O)cc3	ZINC000000055562	O=c2cc(Sc1ccccc1)nc3ccccn23
CCN(CC)C[C@@H](O)CNC1=NS(=O)(=O)c2ccccc12	ZINC000000068169	O=S2(=O)N=Cc1ccccc12
Clc3c(CSc1nnnn1c2ccccc2)nc4ccccn34	ZINC000000055566	C(Sc1nnnn1c2ccccc2)c4cn3ccccc3n4
O[C@H](COc1ccccc1CC=C)CN2CCCCC2	ZINC000000075554	C2CCN(CCCOc1ccccc1)CC2
Cc1ccoc1C(=O)N2CCNCC2	ZINC000000105610	O=C(N1CCNCC1)c2ccco2
CN2CCN(c1ccc(C(F)(F)F)cc1NC(C)=O)CC2	ZINC000000075437	C2CN(c1ccccc1)CCN2
CN3CCN(C(=O)NC[C@H]2CN(Cc1ccccc1)C(=O)C2)CC3	ZINC000000347888	O=C2CC(CNC(=O)N1CCNCC1)CN2Cc3ccccc3
CN(C)c2ccc(C[N@]1CCC[C@@H](O)C1)cc2	ZINC000000238073	C2CCN(Cc1ccccc1)CC2
CS(=O)(=O)N2CCN(C1CCCCCC1)CC2	ZINC000000300586	C2CCCC(N1CCNCC1)CC2
Nc3cc(N)nc(SCc2ccc(C(=O)N1CCOCC1)cc2)n3	ZINC000000115798	O=C(N1CCOCC1)c3ccc(CSc2ncccn2)cc3
Oc4ccc3[nH]cc([C@H]1CN2CCC1CC2)c3c4	ZINC000000005324	C1CN4CCC1C(c2c[nH]c3ccccc23)C4
CCN(CC)CCOc2ccc1nc(N(C)C)sc1c2	ZINC000000001271	c2ccc1scnc1c2
Cc2cc(NC(=O)c1ccsc1)cc(C)c2O	ZINC000000004574	O=C(Nc1ccccc1)c2ccsc2
Cc4ccc3NC(=O)CN(C(=O)c1ccco1)[C@@H](c2ccccc2)c3c4	ZINC000000212198	O=C4CN(C(=O)c1ccco1)C(c2ccccc2)c3ccccc3N4
Cc2cc(=O)c1ccc(O)cc1o2	ZINC000000161021	O=c1ccoc2ccccc12
Clc2ccc(OC[C@@H]1CCN1)cn2	ZINC000000007009	C2CC(COc1cccnc1)N2
C[N+](C)(C)CC[C@@H](O)c1ccccc1	ZINC000000217484	c1ccccc1
CN1CCN3[C@@H](C1)c2cccn2Cc4ccccc34	ZINC000000000050	C1CN3C(CN1)c2cccn2Cc4ccccc34
CC(=O)Nc3cc2ncnc(NCc1ccccc1)c2cn3	ZINC000000020368	C(Nc1ncnc2ccncc12)c3ccccc3
Cc2cc(C(=O)NCc1cc(C(O)=O)co1)c(C)o2	ZINC000000036405	O=C(NCc1ccco1)c2ccoc2
Cc4ccc3NC(=O)[C@](O)(CC(=O)c2ccc1CCCCc1c2)c3c4	ZINC000000106832	O=C(CC1C(=O)Nc2ccccc12)c4ccc3CCCCc3c4
NC(=O)c1ccccc1NC(=O)c2cccc(Br)c2	ZINC000000030332	O=C(Nc1ccccc1)c2ccccc2
O[C@H](CNC1CCCCC1)Cn3cnc2ccccc2c3=O	ZINC000000406602	O=c2n(CCCNC1CCCCC1)cnc3ccccc23
CN(Cc1ccccc1)C(=O)c2ccc(F)cc2	ZINC000000029773	O=C(NCc1ccccc1)c2ccccc2
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc2ccccc2	ZINC000000044132	O=C(NCc1ccccc1)C2CCCN2
C[N+](C)(N)Cc2csc(c1ccc(Cl)cc1)n2	ZINC000000159235	c2ccc(c1nccs1)cc2
CCN(CC)C(=O)[n+]1ccc(N)cc1	ZINC000000389055	c1ccncc1
COc2cc1CC(C)(C)[N+](C)=Cc1cc2OC	ZINC000000342133	C2Cc1ccccc1C=N2
COC(=O)c1csc(C(=O)OC)c1C	ZINC000000035814	c1ccsc1
Cn2c(C[n+]1ccccc1)nc3ccccc23	ZINC000000252251	C(c2nc1ccccc1[nH]2)[n+]3ccccc3
O=C3CC[C@H]2N1CCC(CC1)C2=C3	ZINC000000260945	O=C3CCC2N1CCC(CC1)C2=C3
Cc1cc(C(F)(F)F)nc(=S)[nH]1	ZINC000000035813	S=c1nccc[nH]1
C[C@H](N1CCCC1)C(=O)Nc2ccccc2C	ZINC000000000051	O=C(CN1CCCC1)Nc2ccccc2
Cc1ccc2c(C)[n+](C)ccn12	ZINC000000245876	c2cc1cnccn1c2
CC[N+]2=C(C)c1ccc(C)n1CC2	ZINC000000245877	C2Cn1cccc1C=N2
Cc1c(F)c(F)c(NN)c(F)c1F	ZINC000000155915	c1ccccc1
Cn2cc(\C=c1\[nH]c(=S)[nH]c1=O)c3ccccc23	ZINC000000067326	O=c1[nH]c(=S)[nH]c1=Cc2c[nH]c3ccccc23
COc3ccc(CN2CCN(c1ccccc1)CC2)cc3O	ZINC000000292277	C2CN(c1ccccc1)CCN2Cc3ccccc3
CN(C)c1cccc2c(S(N)(=O)=O)cccc12	ZINC000000056543	c2ccc1ccccc1c2
CC(C)(O)C(=C=C)n1cccc1	ZINC000000066337	c1cc[nH]c1
Fc3ccc(C[N@]2CCCN(C(=S)NC1CCCCC1)CC2)cc3	ZINC000000066332	S=C(NC1CCCCC1)N3CCCN(Cc2ccccc2)CC3
COc3cccc(c2nc1ccc(Cl)cn1c2NC(C)(C)C)c3	ZINC000000320279	c3ccc(c2cn1ccccc1n2)cc3
COc2cc(C(=O)NC(=S)Nc1ccccc1)cc(OC)c2OC	ZINC000000309572	O=C(NC(=S)Nc1ccccc1)c2ccccc2
CCOC(=O)N2CCN(C(=O)c1cccs1)CC2	ZINC000000029362	O=C(N1CCNCC1)c2cccs2
C=CCN(CC=C)C(=O)c1cccs1	ZINC000000029363	c1ccsc1
O=C(NCCc1c[nH]c2ccccc12)C4=Cc3ccncc3CC4	ZINC000000024247	O=C(NCCc1c[nH]c2ccccc12)C4=Cc3ccncc3CC4
Cc2cc(OCC(=O)NCc1ccccn1)cc(C)c2Br	ZINC000000312208	O=C(COc1ccccc1)NCc2ccccn2
C3CN=C(NN=C1CCc2ccccc12)N3	ZINC000000145576	C3CN=C(NN=C1CCc2ccccc12)N3
COc2ccc(c1csnn1)cc2S(=O)(=O)Nc3ccccc3	ZINC000000173305	O=S(=O)(Nc1ccccc1)c3cccc(c2csnn2)c3
Cc1c(Cl)ccc(N)c1Cl	ZINC000000031315	c1ccccc1
COC(=O)C(=C/c1ccc(OC)cc1)/C#N	ZINC000000042473	c1ccccc1
C[C@@H]2CN(C(=O)Cc1cccs1)C[C@@H](C)O2	ZINC000000030805	O=C(Cc1cccs1)N2CCOCC2
CCOC(=O)[C@H]3[C@@H](c1ccccc1)CC(c2ccc(C)cc2)=CC3=O	ZINC000000066743	O=C3CC(c1ccccc1)CC(c2ccccc2)=C3
ClC(Cl)(Cl)[C@@H](NC(=O)c1ccccc1)n2cnccc2=O	ZINC000000040907	O=C(NCn1cnccc1=O)c2ccccc2
FC(F)(F)c2cc(NCC[C@@H]1CCCCN1)cc(C(F)(F)F)c2	ZINC000000068075	C2CCC(CCNc1ccccc1)NC2
CCOC(=O)c1cc(C(C)(C)C)oc1CN	ZINC000000032660	c1ccoc1
Nn2c(=O)c1ccccc1c2=O	ZINC000000157180	O=c1[nH]c(=O)c2ccccc12
CCN(CC)CC(=O)N1CCCc2c1c(=O)oc3ccc(O)cc23	ZINC000000199161	O=c3oc1ccccc1c2CCCNc23
Oc1ccccc1/N=C/c2ccccc2F	ZINC000000040908	C(=Nc1ccccc1)c2ccccc2
O=C2NCCN(c1ccccn1)N2	ZINC000000025263	O=C2NCCN(c1ccccn1)N2
CCOC(=O)c2[nH]c(C)c(CNCc1ccco1)c2C	ZINC000000034369	C(NCc1ccco1)c2cc[nH]c2
O=C3COc2ccc(C(=O)NCc1ccco1)cc2N3	ZINC000000034364	O=C3COc2ccc(C(=O)NCc1ccco1)cc2N3
Nc2ccc(n1cncn1)cc2	ZINC000000153516	c2ccc(n1cncn1)cc2
COc4ccc(c3cc2cc(C)c(C#N)c(N1CCCC1)n2c3)cc4	ZINC000000034363	C4CCN(c2cccc3cc(c1ccccc1)cn23)C4
Cn1nnc2cc(CN)ccc12	ZINC000000158988	c2ccc1[nH]nnc1c2
NC(=O)c2cn(Cc1c(F)cccc1F)cn2	ZINC000000003650	C(c1ccccc1)n2ccnc2
CC(=O)c1ccc(O)c2nsnc12	ZINC000000258313	c2ccc1nsnc1c2
Cc1ccccc1OC[C@H](O)CO	ZINC000000000450	c1ccccc1
CCn2c(Cc1ccccc1)nnc2SCc3ccc(Cl)cc3	ZINC000000422425	C(Sc2nnc(Cc1ccccc1)[nH]2)c3ccccc3
CS(=O)(=O)c1ccc(CN)cc1	ZINC000000086758	c1ccccc1
Cc2ccc(C(=O)NC1CCCCC1)cc2C	ZINC000000029944	O=C(NC1CCCCC1)c2ccccc2
Cc2cc(NC=C1C(=O)CCCC1=O)no2	ZINC000000083983	O=C1CCCC(=O)C1=CNc2ccon2
Cc2cc(C)c(n1cccc1CN)c(C)c2	ZINC000000035367	c2ccc(n1cccc1)cc2
CCOc1ccccc1N3CCN(C(=O)c2ccccc2C)CC3	ZINC000000035366	O=C(N2CCN(c1ccccc1)CC2)c3ccccc3
O=C(NC1CC1)c3cc(c2ccccc2)nc4ccccc34	ZINC000000035364	O=C(NC1CC1)c3cc(c2ccccc2)nc4ccccc34
Cc2cc1cc(N(=O)=O)ccc1[nH]2	ZINC000000086757	c2ccc1[nH]ccc1c2
Clc3cccc(C(=O)NC(=S)Nc2ccc1[nH]c(=O)[nH]c1c2)c3	ZINC000000122525	O=C(NC(=S)Nc2ccc1[nH]c(=O)[nH]c1c2)c3ccccc3
O=c2[nH]c1ccccc1n2C4CCN(CCOc3ccccc3)CC4	ZINC000000001873	O=c2[nH]c1ccccc1n2C4CCN(CCOc3ccccc3)CC4
C3COC2(CCN(Cc1ccccc1)CC2)O3	ZINC000000134518	C3COC2(CCN(Cc1ccccc1)CC2)O3
C3C[C@H](CN2CCN(c1ncccn1)CC2)CC=C3	ZINC000000217806	C3CC(CN2CCN(c1ncccn1)CC2)CC=C3
C2CC(=Cc1c[nH]cn1)CCN2	ZINC000000016613	C2CC(=Cc1c[nH]cn1)CCN2
Cc2ccc(S(=O)(=O)CCC(=O)Nc1cccc(N(=O)=O)c1)cc2	ZINC000000224811	O=C(CCS(=O)(=O)c1ccccc1)Nc2ccccc2
CC(C)CNC(=O)C2CCN(Cc1ccc(F)cc1)CC2	ZINC000000236099	C2CCN(Cc1ccccc1)CC2
CCOC(=O)[C@@H]1CCCCN1C2CCN(C)CC2	ZINC000000291709	C2CCN(C1CCNCC1)CC2
CC(=O)c1ccc(C#N)c(=S)[nH]1	ZINC000000124207	S=c1cccc[nH]1
O[C@]13CCCC[C@H]1[C@H](c2ccc(N(=O)=O)cc2)NCC3	ZINC000000284790	C1CCC2C(C1)CCNC2c3ccccc3
Cn2c(c1ccc(C=NNC(N)=N)cc1)c[n+]3ccccc23	ZINC000006072359	c3ccc(c2c[n+]1ccccc1[nH]2)cc3
N#Cc1ccccc1NCn2nnc3ccccc23	ZINC000000041235	C(Nc1ccccc1)n2nnc3ccccc23
NCC2CCC(C(=O)Nc1ccccn1)CC2	ZINC000000012054	O=C(Nc1ccccn1)C2CCCCC2
Cn1c[n+](C)ccc1=O	ZINC000000330949	O=c1ccnc[nH]1
CCN(CC)[C@@H]2CC(=O)N(c1cccc(N(=O)=O)c1)C2=O	ZINC000000093274	O=C1CCC(=O)N1c2ccccc2
COc2ccc(OC)c(NC(=O)COc1ccc(C)c(C)c1)c2	ZINC000000044489	O=C(COc1ccccc1)Nc2ccccc2
C[N@]2CC[C@@](O)(c1cccc(Cl)n1)C2	ZINC000000390297	C2CC(c1ccccn1)CN2
COc1ccccc1C[C@@H]3N2CCC(CC2)/C3=N\O	ZINC000000448379	N=C2C1CCN(CC1)C2Cc3ccccc3
COC[C@@H](N)Cc1ccccc1	ZINC000000403116	c1ccccc1
Clc3c(N1CCNCC1)cnn(c2ccccc2)c3=O	ZINC000000151447	O=c2cc(N1CCNCC1)cnn2c3ccccc3
Cn1ncc(Cl)c1c3nc2ccccc2[nH]3	ZINC000000046880	c3ccc2[nH]c(c1ccn[nH]1)nc2c3
C2CO[C@H](CNCc1ccco1)C2	ZINC000000265972	C2COC(CNCc1ccco1)C2
FC(F)(F)c3nc(c1nonc1Nc2ccccc2)no3	ZINC000000027639	N(c1ccccc1)c2nonc2c3ncon3
Cc1c(N)cc[n+](C)c1C	ZINC000000039734	c1ccncc1
S=C(SN1CCOCC1)N2CCOCC2	ZINC000000027634	S=C(SN1CCOCC1)N2CCOCC2
O=[S@@](N1CCOCC1)c3nc2ccccc2s3	ZINC000000027632	O=S(N1CCOCC1)c3nc2ccccc2s3
CC3(C)CC(NSc2nc1ccccc1s2)CC(C)(C)N3	ZINC000000027633	C3CC(NSc2nc1ccccc1s2)CCN3
CSc1nc(N)c(C#N)s1	ZINC000000039461	c1cscn1
Cc1cc(Cl)nc(N)n1	ZINC000000039463	c1cncnc1
Cc2cc(C)n(NC(=S)NCc1cccs1)c(=O)c2C#N	ZINC000000079073	O=c1ccccn1NC(=S)NCc2cccs2
O=C(O[C@@H]1CN2CCC1CC2)[C@@H]4COc3ccccc3O4	ZINC000000108981	O=C(OC1CN2CCC1CC2)C4COc3ccccc3O4
CCN3C(=O)C[C@H](N2CCC(Cc1ccccc1)CC2)C3=O	ZINC000000053073	O=C3CC(N2CCC(Cc1ccccc1)CC2)C(=O)N3
O=C(Nc1cccnc1)[C@@H]2CCCS2	ZINC000000122981	O=C(Nc1cccnc1)C2CCCS2
Cc2cc(NC(=O)\C=C\c1ccco1)ccc2NC(=O)c3ccccc3	ZINC000000277340	O=C(Nc2ccc(NC(=O)c1ccccc1)cc2)C=Cc3ccco3
COC(=O)c2ccc(Cn1c(C)cc(C)[n+]1C)o2	ZINC000000509803	C(c1ccco1)n2cccn2
COc3ccc(\C=N\c1ccccc1C(=O)c2ccccc2)cc3O	ZINC000000066105	O=C(c1ccccc1)c2ccccc2N=Cc3ccccc3
COc2cc(OC)cc(C1=NCCN1)c2	ZINC000000616438	C2CN=C(c1ccccc1)N2
CN4CCN(c3cc2n(C1CC1)cc(C(O)=O)c(=O)c2cc3N)CC4	ZINC000000008476	O=c3ccn(C1CC1)c4cc(N2CCNCC2)ccc34
O[C@@H]2CC[N@@](Cc1ccc(Cl)c(Cl)c1)C2	ZINC000000215417	C2CCN(Cc1ccccc1)C2
O=C(Nc2ccc1c(=O)[nH]c(=O)c1c2)c3ccco3	ZINC000000098260	O=C(Nc2ccc1c(=O)[nH]c(=O)c1c2)c3ccco3
Cc3c(N1CCNCC1)c(N)cc4c(=O)c(C(O)=O)cn(C2CC2)c34	ZINC000000008479	O=c3ccn(C1CC1)c4cc(N2CCNCC2)ccc34
C[C@@H](Cc1ccccc1)NC(=O)c2cccnc2	ZINC000000000605	O=C(NCCc1ccccc1)c2cccnc2
CN(C)CC[C@@H](c1ccccc1)c2ccccn2	ZINC000000000607	C(c1ccccc1)c2ccccn2
Cn3c(=O)n(C)c4cc(/N=C/c1c(O)ccc2ccccc12)ccc34	ZINC000000061773	O=c4[nH]c3ccc(N=Cc1cccc2ccccc12)cc3[nH]4
CC(=O)CCN1CCCCC1	ZINC000000332774	C1CCNCC1
C[C@H]1NCCO[C@@H]1c2ccccc2	ZINC000000000609	C2COC(c1ccccc1)CN2
C[N+]3(C[C@@H]2CO[C@H](C[N+]1(C)CCOCC1)CO2)CCOCC3	ZINC000000050676	C3CN(CC2COC(CN1CCOCC1)CO2)CCO3
C[C@H](N(O)C(N)=O)c2ccc(c1ccccc1)o2	ZINC000000010347	c2ccc(c1ccco1)cc2
Cc3nc(c2cc(C(C)(C)C)c1OCC(C)(C)c1c2)no3	ZINC000000022608	C3Cc2cc(c1ncon1)ccc2O3
CC(C)(C)c3cc(c2cn1ccsc1n2)cc4c3OCC4(C)C	ZINC000000022609	C4Cc3cc(c2cn1ccsc1n2)ccc3O4
NC(=O)N(O)C/C=C/c1ccoc1	ZINC000000010348	c1ccoc1
Cc2ccc(S(=O)(=O)N=C(O)NC1CCCCCCC1)cc2	ZINC000000001516	O=S(=O)(N=CNC1CCCCCCC1)c2ccccc2
Cn2c(=O)/c(=N\NS(=O)(=O)c1ccccc1)c3ccccc23	ZINC000000041825	O=c2[nH]c1ccccc1c2=NNS(=O)(=O)c3ccccc3
Nc4ccc(C(=O)N1C[C@@H]3C[C@H](C1)C[N@@](Cc2ccccc2)C3)cc4	ZINC000000004748	O=C(N3CC2CC(CN(Cc1ccccc1)C2)C3)c4ccccc4
NC(=N)NCCn1ccc2ccccc12	ZINC000000216148	c2ccc1[nH]ccc1c2
Nc1nccc[n+]1Cc2ccccc2	ZINC000000392299	C(c1ccccc1)[n+]2cccnc2
Cc3cc(C)[n+]2nc(N)c1ccccc1c2n3	ZINC000000392294	c1ccc2c(c1)cn[n+]3cccnc23
CCN(CC)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O	ZINC000000112249	O=C1CNC(=O)N1
O=c2[nH]nc(N1CCCCCC1)c(=O)[nH]2	ZINC000000407746	O=c2[nH]nc(N1CCCCCC1)c(=O)[nH]2
O[C@@H](COCc1ccccc1F)CN2CCCCC2	ZINC000000351491	C2CCN(CCCOCc1ccccc1)CC2
S=C(NCCc1ccccc1)N/N=C/c3ccc2OCOc2c3	ZINC000000072062	S=C(NCCc1ccccc1)NN=Cc3ccc2OCOc2c3
COc2cc(NC(=O)CCOc1ccc(F)cc1)cc(OC)c2OC	ZINC000000107264	O=C(CCOc1ccccc1)Nc2ccccc2
Fc3ccc(CSc1ncnc2[nH]cnc12)c4ccccc34	ZINC000000031876	C(Sc1ncnc2[nH]cnc12)c3cccc4ccccc34
CN(C)CCSc1nc(C)cc(C)n1	ZINC000000191579	c1cncnc1
C[N+]3(C[C@@H]2Cc1ccccc1O2)CCOCC3	ZINC000000306516	C3CN(CC2Cc1ccccc1O2)CCO3
COc1ccc(C(=O)NCCN(C)C)cc1OC	ZINC000000432966	c1ccccc1
C[N+]2(C[C@@H](O)CN1CCCC1=O)CCOCC2	ZINC000000509668	O=C1CCCN1CCCN2CCOCC2
COc3ccc(NS(=O)(=O)c2ccc(NC(=O)C1CC1)cc2)cc3	ZINC000000358516	O=C(Nc2ccc(S(=O)(=O)Nc1ccccc1)cc2)C3CC3
CCOC(=O)[C@@H]2CCC[N@@](Cc1ccc(F)cc1F)C2	ZINC000000237968	C2CCN(Cc1ccccc1)CC2
O=C2CN(C(=O)C1CCNCC1)CCN2	ZINC000019413544	O=C2CN(C(=O)C1CCNCC1)CCN2
C[C@H](N(O)C(N)=O)c2ccc1ccccc1c2	ZINC000000025074	c2ccc1ccccc1c2
C[C@@H]1CC(C)(C)O[C@@H](C(C)(C)CN(C)C)O1	ZINC000000171820	C1COCOC1
Cc1noc(N)c1C(N)=S	ZINC000000124140	c1cnoc1
CN(C)c4cccc(Nc2cc(C)c(C#N)c3nc1ccccc1n23)c4	ZINC000000062151	N(c1ccccc1)c3cccc4nc2ccccc2n34
C[C@H]1CC(=O)NN=C1c3ccc(NC2=C(C)C(=O)CC2)cc3	ZINC000000010961	O=C3CCC(c2ccc(NC1=CC(=O)CC1)cc2)=NN3
Cc2cc(C)n(c1ccc(NN)nn1)n2	ZINC000000440768	c2cnnc(n1cccn1)c2
CC2(C)CN(C(=O)C1(O)CNC1)CCO2	ZINC000662503761	O=C(C1CNC1)N2CCOCC2
O=C3CC[C@@H]2NC(=O)[C@@H](Cc1ccccc1)N23	ZINC000000010968	O=C3CCC2NC(=O)C(Cc1ccccc1)N23
Fc2ccc(NC(=O)Cc1nn[nH]n1)cc2	ZINC000000091103	O=C(Cc1nn[nH]n1)Nc2ccccc2
c2cc(c1ccncc1)ccn2	ZINC000000043467	c2cc(c1ccncc1)ccn2
CN2CCN(C(=S)Nc1ccc(C)cc1)CC2	ZINC000000453022	S=C(Nc1ccccc1)N2CCNCC2
C3Oc2ccc(CNCc1ccncc1)cc2O3	ZINC000000172225	C3Oc2ccc(CNCc1ccncc1)cc2O3
Cc3cc2nc(C[n+]1cccc(C(N)=O)c1)[nH]c2cc3C	ZINC000000386939	C(c2nc1ccccc1[nH]2)[n+]3ccccc3
COc1cccnc1NC(=O)NC2C[C@@H]3CC[C@H](C2)[N@]3C	ZINC000000002342	O=C(NC1CC2CCC(C1)N2)Nc3ccccn3
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)c2ccccc2	ZINC000000052134	O=C(COC(=O)C1CCCN1)c2ccccc2
CC(=O)Nc3nnc(Cc1c[nH]c2ccccc12)s3	ZINC000000052132	C(c1c[nH]c2ccccc12)c3nncs3
NC(=S)N/N=C/c1cc(N(=O)=O)ccc1O	ZINC000000101055	c1ccccc1
CN(C)c2ccc(\C=C\c1cc[n+](C)cc1)cc2	ZINC000000143705	C(=Cc1ccncc1)c2ccccc2
C[C@@H]1C=CC=C(C)NC1=O	ZINC000000336878	O=C1CC=CC=CN1
O[C@H](CNCc2ccc1OCOc1c2)CSc3cccs3	ZINC000000119187	C(CNCc2ccc1OCOc1c2)CSc3cccs3
COC(=O)C2=CN(C1CC1)C=C(C(=O)OC)C2c3ccccc3OC	ZINC000000089729	C1CC1N3C=CC(c2ccccc2)C=C3
CN3CCC(OC(=O)c2cc1ccccc1oc2=O)CC3	ZINC000000108207	O=C(OC1CCNCC1)c3cc2ccccc2oc3=O
Cc3cccc(OCC(=O)O[C@@H]1CN2CCC1CC2)c3	ZINC000000203536	O=C(COc1ccccc1)OC2CN3CCC2CC3
C[C@@]3(CC1=NCCN1)OC[C@@H](CN2CCCCC2)O3	ZINC000012321011	C3CCN(CC2COC(CC1=NCCN1)O2)CC3
FC(F)(F)c2cccc(CSC1=NCCCN1)c2	ZINC000000137983	C2CNC(SCc1ccccc1)=NC2
c2c[nH]c(c1ncc[nH]1)n2	ZINC000000157663	c2c[nH]c(c1ncc[nH]1)n2
Fc3cccc(C(=O)N2CCN(C[C@@H]1CCC=CC1)CC2)c3	ZINC000000317043	O=C(N2CCN(CC1CCC=CC1)CC2)c3ccccc3
Nc2nc1ccccc1n2Cc3cccc4nonc34	ZINC000000190042	C(c1cccc2nonc12)n3cnc4ccccc34
C[C@@H](Cc1ccccc1)NC(O)=NS(=O)(=O)c2ccc(C)cc2	ZINC000000002199	O=S(=O)(N=CNCCc1ccccc1)c2ccccc2
COc2cc(CN(C)C1CCN(C)CC1)cc(Br)c2O	ZINC000000199578	C2CC(NCc1ccccc1)CCN2
O[C@H](CN1CCOC1=O)Cn2ccnc2N(=O)=O	ZINC000000012331	O=C1OCCN1CCCn2ccnc2
CN(C)Cn1nnc2ccccc12	ZINC000000344382	c2ccc1[nH]nnc1c2
CCOC(=O)c3cccc(NC(=O)c2ccc1OCOc1c2)c3	ZINC000000031693	O=C(Nc1ccccc1)c3ccc2OCOc2c3
Cc4cc(C)nc(NC(=O)C2c1ccccc1Oc3ccccc23)n4	ZINC000000031696	O=C(Nc1ncccn1)C3c2ccccc2Oc4ccccc34
CCOc1ccccc1C(=O)n3c2ccccc2sc4ccccc34	ZINC000000205272	O=C(c1ccccc1)n3c2ccccc2sc4ccccc34
CN(C)CCn2nnc3c(=O)oc1ccccc1c23	ZINC000000198778	O=c2oc1ccccc1c3[nH]nnc23
Cc3cc(N1CCOCC1)nc(NCc2ccccc2)n3	ZINC000000123002	C3CN(c2ccnc(NCc1ccccc1)n2)CCO3
O=C1CCC[n+]2ccccc12	ZINC000000337475	O=C1CCC[n+]2ccccc12
CCC(=O)n1c(SCC(N)=O)nc2ccccc12	ZINC000000054805	c2ccc1[nH]cnc1c2
Cc1[n+](N)cn2ccccc12	ZINC000000337477	c2ccn1cncc1c2
Cc2cc(C)c(NC(=O)C1CC1)c(C)c2	ZINC000000045941	O=C(Nc1ccccc1)C2CC2
NC(=N)NC[C@H]2COc1ccccc1O2	ZINC000000000357	C2COc1ccccc1O2
CNC(=O)Oc1cccc(C)c1	ZINC000000135179	c1ccccc1
O=C(NCc1ccncc1)[C@H]2CCCCN2	ZINC000000017735	O=C(NCc1ccncc1)C2CCCCN2
CC(=O)Oc1ccc(C(N)=O)cc1	ZINC000000049687	c1ccccc1
O=C2CC[C@@H](C(=O)N1CCCCC1)N2	ZINC000000003826	O=C2CCC(C(=O)N1CCCCC1)N2
O=C1CCC(=O)N1c2cccnc2	ZINC000000104034	O=C1CCC(=O)N1c2cccnc2
Fc4cccc([C@H]3CC(=O)c2cc1OCOc1cc2N3)c4	ZINC000000023387	O=C3CC(c1ccccc1)Nc4cc2OCOc2cc34
CCOc2ccc(NN1C(N)C(=O)NC1=O)cc2	ZINC000000033922	O=C2CN(Nc1ccccc1)C(=O)N2
O=N(=O)c2ccc1[nH]ccc1c2	ZINC000000105247	c2ccc1[nH]ccc1c2
Cc3cc(NCn2ncc1ccccc1c2=O)ccc3Br	ZINC000000069761	O=c2n(CNc1ccccc1)ncc3ccccc23
NCc1ccccc1N	ZINC000000389679	c1ccccc1
CN2CCC(N(C)Cc1ccccc1N(=O)=O)CC2	ZINC000000239833	C2CC(NCc1ccccc1)CCN2
COc3ccc(c2nnn(CC(=O)Nc1ccc(F)cc1)n2)cc3	ZINC000000054495	O=C(Cn2nnc(c1ccccc1)n2)Nc3ccccc3
Cc2c(OCC(=O)OC(C)(C)C)ccc3c1CCCCc1c(=O)oc23	ZINC000000083516	O=c3oc1ccccc1c2CCCCc23
NC[C@H](C=C)c1ccc(O)cc1	ZINC000000009714	c1ccccc1
CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H]1C#N	ZINC000000009241	C1CCNC1
C3CO[C@H](COc1cccc2C=CCc12)CN3	ZINC000000009710	C3COC(COc1cccc2C=CCc12)CN3
NC[C@H](C#C)c1ccc(O)cc1	ZINC000000009712	c1ccccc1
COc3ccc(CCN[C@@H]2CC(=O)N(c1ccccc1)C2=O)cc3	ZINC000000182016	O=C2CC(NCCc1ccccc1)C(=O)N2c3ccccc3
CNC(=O)c3sc2nc(c1ccc(OC)c(OC)c1)ccc2c3N	ZINC000000125897	c3ccc(c2ccc1ccsc1n2)cc3
COc1cc(OC)c(C=O)cc1Br	ZINC000000028461	c1ccccc1
CC3CCC(N2CCN(S(=O)(=O)c1ccccc1)CC2)CC3	ZINC000000182018	O=S(=O)(N2CCN(C1CCCCC1)CC2)c3ccccc3
Cc1cc(Cl)nnc1Cl	ZINC000000161453	c1ccnnc1
Nc4cc(N2CCc1ccccc1C2)c3ccccc3n4	ZINC000000026869	C2Cc1ccccc1CN2c3ccnc4ccccc34
Clc2ccc(C(=O)Nc1ccc(C#N)cc1)cc2	ZINC000000046419	O=C(Nc1ccccc1)c2ccccc2
CN1CCC(NC(C)=O)(NC(C)=O)CC1	ZINC000000268611	C1CCNCC1
OC[C@@H](O)CN1CCCCC1	ZINC000000407024	C1CCNCC1
COc3ccc(C(=O)c2c(N)sc1C[N@](C)CCc12)cc3	ZINC000000155021	O=C(c1ccccc1)c3csc2CNCCc23
O=C(NN2C(=O)c1ccccc1NC23CCCC3)c4ccccc4	ZINC000000054428	O=C(NN2C(=O)c1ccccc1NC23CCCC3)c4ccccc4
CC(C)(C)C(=O)NCC1(CC(O)=O)CCCCC1	ZINC000000027407	C1CCCCC1
CN(C)CCc1c[nH]c2ccc(O)cc12	ZINC000000001070	c2ccc1[nH]ccc1c2
Cc2nc1ncnn1c3N(C(C)(C)C)CCc23	ZINC000000001071	C3Cc2cnc1ncnn1c2N3
Cc4ccc(n3nc2cc(C)c(NC(=O)c1ccccc1)cc2n3)cc4	ZINC000000068411	O=C(Nc3ccc2nn(c1ccccc1)nc2c3)c4ccccc4
CC(=O)Nc1ccc(OC(C)(C)C)cc1	ZINC000000001075	c1ccccc1
CCN(CC)C[C@@H](O)COc1ccc(OC)cc1	ZINC000000189893	c1ccccc1
O=c2[nH]c(=O)c3cc1ccccc1cc23	ZINC000000074160	O=c2[nH]c(=O)c3cc1ccccc1cc23
Fc2ccc(Nc1nc(Cl)nc(Cl)n1)c(F)c2	ZINC000000049026	N(c1ccccc1)c2ncncn2
Cc3ccc(C(=O)Oc2ccc(C(=S)N1CCOCC1)cc2)cc3	ZINC000000051037	O=C(Oc2ccc(C(=S)N1CCOCC1)cc2)c3ccccc3
O=C(Nc1cccnc1)N2CCOCC2	ZINC000000281485	O=C(Nc1cccnc1)N2CCOCC2
C[S@](=O)c1ccc(C)cc1	ZINC000000161048	c1ccccc1
Cn4c(c1ccccc1)nn(CN2CCC3(CC2)OCCO3)c4=S	ZINC000000054233	S=c2[nH]c(c1ccccc1)nn2CN3CCC4(CC3)OCCO4
OC(=O)[C@@]2(O)Oc1ccccc1C=C2	ZINC000000896074	C2Oc1ccccc1C=C2
Nc3ccc(c2cc(=O)c1c(N)c(F)c(CO)c(F)c1o2)cc3F	ZINC000000019626	O=c2cc(c1ccccc1)oc3ccccc23
Cn2c(=O)oc3ccc(C(=O)c1ccccc1)cc23	ZINC000000012860	O=C(c1ccccc1)c3ccc2oc(=O)[nH]c2c3
CCc2oc1ccccc1c2CC3=NCCN3	ZINC000000001218	C3CN=C(Cc1coc2ccccc12)N3
COc3ccc(CNC(=O)Cn2nc(c1ccccc1)ccc2=O)cc3	ZINC000000219242	O=C(Cn2nc(c1ccccc1)ccc2=O)NCc3ccccc3
COc3c1OCOc1cc2CC[N+](C)=Cc23	ZINC000000001216	C3Oc2cc1CCN=Cc1cc2O3
CN2[C@@H](c1cccnc1)CCC2=O	ZINC000000001217	O=C2CCC(c1cccnc1)N2
CO[C@@H](C)C(=O)N2CCN(Cc1ccccc1)CC2	ZINC000000389079	C2CN(Cc1ccccc1)CCN2
Cn2c(c1ccc(I)cc1)c[n+]3ccccc23	ZINC000000387433	c3ccc(c2c[n+]1ccccc1[nH]2)cc3
ON=c2[nH]c1ccc(OC(F)(F)F)cc1s2	ZINC000000021120	N=c2[nH]c1ccccc1s2
C(Sc2nc1ccccc1o2)c4cccc(Oc3ccccc3)c4	ZINC000000048645	C(Sc2nc1ccccc1o2)c4cccc(Oc3ccccc3)c4
CSc2oc(c1ccccc1)nc2S(=O)(=O)c3ccccc3	ZINC000000048316	O=S(=O)(c1ccccc1)c3coc(c2ccccc2)n3
O[C@H]1CSc3n(C1)c2ccccc2[n+]3CC=C	ZINC000000439780	C3CSc2nc1ccccc1n2C3
CC[C@](C)(CN(C)C)OC(=O)c1ccccc1	ZINC000000000038	c1ccccc1
Cc1nonc1c3cc2ccccn2c3	ZINC000000037841	c3ccn2cc(c1cnon1)cc2c3
COc1cc(C)c(C(O)=O)c(OC)n1	ZINC000000095119	c1ccncc1
C[C@@H](CC(C(N)=O)(c1ccccc1)c2ccccc2)N(C)C	ZINC000000000030	C(c1ccccc1)c2ccccc2
CN(C)c2ccc(C=NN1C(=O)CNC1=O)cc2	ZINC000000045673	O=C1CNC(=O)N1N=Cc2ccccc2
Cc1ccc(/C=C/N(=O)=O)cc1	ZINC000000036425	c1ccccc1
CCn3c(=C\C=C\c2oc1ccccc1[n+]2CC)/oc4ccccc34	ZINC000000106856	C(=Cc2nc1ccccc1o2)C=c4[nH]c3ccccc3o4
C3CC(c2nc(c1cnccn1)no2)CCN3	ZINC000000154378	C3CC(c2nc(c1cnccn1)no2)CCN3
CC(C)NC(=O)c1cccc(Cl)c1	ZINC000000029717	c1ccccc1
O=C(Nc1nn[nH]n1)c3cc(c2cccs2)on3	ZINC000000020838	O=C(Nc1nn[nH]n1)c3cc(c2cccs2)on3
COc2cc(C[N@@](C)C1CCN(C)CC1)cc3OCOc23	ZINC000000216558	C3CC(NCc2ccc1OCOc1c2)CCN3
Nc1cccc(N)n1	ZINC000000333587	c1ccncc1
OC2CCN(c1nccc(C(F)(F)F)n1)CC2	ZINC000000066310	C2CCN(c1ncccn1)CC2
Cc1cc(C)c(C#N)c(Cl)n1	ZINC000000053864	c1ccncc1
Brc2ccc1NCCc1c2	ZINC000000156461	C2Cc1ccccc1N2
CN(C)CC[S@](=O)c1ccccc1	ZINC000000271016	c1ccccc1
FC(F)(F)c1cc[nH]c(=O)c1	ZINC000000132769	O=c1cccc[nH]1
COc3cccc(CNCc2ccc1OCOc1c2)c3	ZINC000000200703	C3Oc2ccc(CNCc1ccccc1)cc2O3
COc1ccccc1NC[C@@H](O)CN	ZINC000000191148	c1ccccc1
CN4CCN(c1ccccc1\C=c2\c(=O)[nH]c3ccccc23)CC4	ZINC000000007027	O=c2[nH]c1ccccc1c2=Cc3ccccc3N4CCNCC4
Cc2ccc1ccccc1c2CSCC(=O)Nc3ccccc3	ZINC000000058726	O=C(CSCc1cccc2ccccc12)Nc3ccccc3
C[C@@H](CN(C)C)[C@@](O)(Cc1ccccc1)c2ccccc2	ZINC000000056564	C(Cc1ccccc1)c2ccccc2
COc3ccc(CSCC(=O)NC1C[C@@H]2CC[C@H](C1)[N@]2C)cc3	ZINC000000136072	O=C(CSCc1ccccc1)NC2CC3CCC(C2)N3
O=C2NCc1cccn1c3sccc23	ZINC000000015072	O=C2NCc1cccn1c3sccc23
N#Cc2nc1ccccc1[nH]2	ZINC000000374942	c2ccc1[nH]cnc1c2
Fc4ccc(C(=O)NCCN3CCC(n1c(=O)[nH]c2cc(Cl)ccc12)CC3)cc4	ZINC000000537818	O=C(NCCN3CCC(n1c(=O)[nH]c2ccccc12)CC3)c4ccccc4
O=C(OCC2c1ccccc1c3ccccc23)N4CCNCC4	ZINC000000388703	O=C(OCC2c1ccccc1c3ccccc23)N4CCNCC4
N[C@H]([C@@H](O)c1ccccc1)C(O)=O	ZINC000000034163	c1ccccc1
Nc1n[nH]c2c(F)cccc12	ZINC000000332237	c2ccc1[nH]ncc1c2
Cc1cc(N)c(N)cc1C	ZINC000000153351	c1ccccc1
CN(C)CCn2c1ccccc1n3cc(C)nc23	ZINC000000241487	c1ccc2c(c1)[nH]c3nccn23
CCOc1ccc(CN(CCO)CCO)cc1C(=O)OC	ZINC000000213657	c1ccccc1
OC[C@@H]1CCCC[N@]1Cc2ccsc2	ZINC000000246104	C2CCN(Cc1ccsc1)CC2
COc2ccc(CN1CCC(O)CC1)cc2Br	ZINC000000201209	C2CCN(Cc1ccccc1)CC2
CN(C)C(=O)OC[n+]1ccn(C)c1	ZINC000000387414	c1c[nH]cn1
Cc2[nH]c1ccc(CN)cc1c2C	ZINC000000142398	c2ccc1[nH]ccc1c2
Cc2c(C)c1ccccc1n2C[C@@H](O)CNCc3ccco3	ZINC000000086827	C(CNCc1ccco1)Cn2ccc3ccccc23
NCCc2nc1ccccc1[nH]2	ZINC000000080438	c2ccc1[nH]cnc1c2
C[C@@H]2C[C@H](OC(=O)c1ccccc1O)CC(C)(C)C2	ZINC000000000370	O=C(OC1CCCCC1)c2ccccc2
CN2CCC(OC(=O)COc1ccc(C)cc1)CC2	ZINC000000383088	O=C(COc1ccccc1)OC2CCNCC2
CC#CC(=O)N1CCNC[C@H](O)C1	ZINC000306188054	C1CNCCNC1
CSc1ccccc1CN	ZINC000000161607	c1ccccc1
NCc1ccccc1F	ZINC000000161604	c1ccccc1
OCC2CCN(Cc1ccccc1)CC2	ZINC000000161602	C2CCN(Cc1ccccc1)CC2
COc2cc(CSC1=NCCN1)cc(OC)c2OC	ZINC000000137632	C2CN=C(SCc1ccccc1)N2
CC2(C)C(=S)Nc1ccccc12	ZINC000000086775	S=C2Cc1ccccc1N2
O=C(Sc1n[nH]c(=O)[nH]c1=O)c2cccc3ccccc23	ZINC000000137842	O=C(Sc1n[nH]c(=O)[nH]c1=O)c2cccc3ccccc23
CC(=O)C3[C@@H](c1ccccc1)n2nnnc2N=C3C	ZINC000000032642	C2C=Nc1nnnn1C2c3ccccc3
Cc2cc1cc(N)ccc1[nH]2	ZINC000000152331	c2ccc1[nH]ccc1c2
NC(=S)C(C#N)=C1CCCC1	ZINC000000179232	C=C1CCCC1
Cc1ccccc1OCC(=O)NC2CC(C)(C)NC(C)(C)C2	ZINC000000195342	O=C(COc1ccccc1)NC2CCNCC2
CN(C)CCN(Cc1ccccc1)c3nc2ccccc2o3	ZINC000000001857	C(Nc2nc1ccccc1o2)c3ccccc3
O[C@]2(C(F)(F)F)N(C(=O)c1ccncc1)NC3=C2CCCCC3	ZINC000000052091	O=C(N2CC1=C(CCCCC1)N2)c3ccncc3
OCC3(c1ccccc1)C(=O)c2ccccc2C3=O	ZINC000000001853	O=C2C(c1ccccc1)C(=O)c3ccccc23
O=c2ccc1ccccc1o2	ZINC000000074709	O=c2ccc1ccccc1o2
Nc3ccc(c2cn1ccccc1n2)cc3	ZINC000000072649	c3ccc(c2cn1ccccc1n2)cc3
Cc1nccn1C[C@@H](O)COc2ccccc2	ZINC000000072648	C(COc1ccccc1)Cn2ccnc2
O=C(Cc1cccs1)Nc2c[nH]c(=O)[nH]c2=O	ZINC000000062952	O=C(Cc1cccs1)Nc2c[nH]c(=O)[nH]c2=O
Cc1nccnc1c2cc[nH]n2	ZINC000000143044	c2cnc(c1cc[nH]n1)cn2
FC(F)(F)c2nnc3ccc(N1CCCCC1)nn23	ZINC000000049230	C3CCN(c2ccc1nncn1n2)CC3
CN(C)C2(CNC(=O)[C@@H]1CNCCO1)CCCCC2	ZINC000019746425	O=C(NCC1CCCCC1)C2CNCCO2
CCOc3ccnc(N2CCN(C(=O)c1cccs1)CC2)n3	ZINC000000017603	O=C(N2CCN(c1ncccn1)CC2)c3cccs3
Oc1ccccc1c3nnc(c2cccc(F)c2)o3	ZINC000000033595	c3ccc(c2nnc(c1ccccc1)o2)cc3
Cc3cc(C)[n+]2nc(SCc1ccccc1)sc2n3	ZINC000000124266	C(Sc2n[n+]1cccnc1s2)c3ccccc3
c3ccc(c2n[n+]1cccnc1o2)cc3	ZINC000000494462	c3ccc(c2n[n+]1cccnc1o2)cc3
CC2CCN(Cc1cnc(NC(C)=O)s1)CC2	ZINC000000032420	C2CCN(Cc1cncs1)CC2
Oc2ccc1ccccc1c2C[N@]3C[C@@H]5C[C@H](C3)c4cccc(=O)n4C5	ZINC000000228692	O=c5cccc4C3CC(CN(Cc1cccc2ccccc12)C3)Cn45
NC1=NCCCN1Cc2ccc(Cl)nc2	ZINC000000008835	C2CN=CN(Cc1cccnc1)C2
CC[C@@H](Oc1ccccc1)C(=O)NCc2ccncc2	ZINC000000035349	O=C(COc1ccccc1)NCc2ccncc2
Fc3ccc(NC(=O)N2CCN(c1ccncc1)CC2)cc3	ZINC000000152484	O=C(Nc1ccccc1)N3CCN(c2ccncc2)CC3
COc3cc([C@@H]2NC(=O)c1ccccc1N2)cc(Br)c3O	ZINC000000146674	O=C2NC(c1ccccc1)Nc3ccccc23
CCn1ncc(Cl)c(Cl)c1=O	ZINC000000039500	O=c1cccn[nH]1
COc1cc(Br)c(C=O)cc1O	ZINC000000057570	c1ccccc1
Nc3nc(c1ccccc1)[n+](c2ccccc2)s3	ZINC000000041257	c3ccc(c1ncs[n+]1c2ccccc2)cc3
CC(C)(C)c3ccc(CC[C@@H]2OC[C@@H](CN1CCCCC1)O2)cc3	ZINC000000171793	C3CCN(CC2COC(CCc1ccccc1)O2)CC3
COc3ccc(N2C(=O)C[C@H](NC[C@@H](O)c1ccccc1)C2=O)cc3	ZINC000000093217	O=C2CC(NCCc1ccccc1)C(=O)N2c3ccccc3
CC(C)(C)NC[C@H](O)c1ccc(O)cc1Cl	ZINC000000004904	c1ccccc1
NC(=N)CCCc1c[nH]cn1	ZINC000000004903	c1c[nH]cn1
Cc4cc3c(c1ccccc1F)nc(N2CCNCC2)nc3s4	ZINC000000004901	C4CN(c3nc(c1ccccc1)c2ccsc2n3)CCN4
Cc3ccnc(NCn1nnc2ccccc12)c3	ZINC000000342716	C(Nc1ccccn1)n2nnc3ccccc23
Cc2cc(NC(=O)CNC1CC1)no2	ZINC000000325651	O=C(CNC1CC1)Nc2ccon2
Fc3ccc(C(=O)\C=c1/c(=O)[nH]c2ccccc12)cc3	ZINC000000047957	O=C(C=c1c(=O)[nH]c2ccccc12)c3ccccc3
CO[C@H]3O[C@H]2CO[C@@H](c1ccccc1)O[C@H]2C[C@@H]3O	ZINC000000027657	C3COC2COC(c1ccccc1)OC2C3
O=C1NC(=O)[C@]3(N1)NC(=O)Nc2ccccc23	ZINC000000002762	O=C1NC(=O)C3(N1)NC(=O)Nc2ccccc23
COc2ccc(C[N@@](C)CCc1ccccn1)c(OC)c2	ZINC000000200567	C(Cc1ccccn1)NCc2ccccc2
CC2(C)OC(=O)N(c1ccccn1)[C@@]2(C)O	ZINC000000089931	O=C1OCCN1c2ccccn2
C[C@@H](Oc2cncc(N1CCNCC1)n2)c3cccc(F)c3	ZINC000000003309	C3CN(c2cncc(OCc1ccccc1)n2)CCN3
Cc2nc1c(=O)[nH]nc(C)c1s2	ZINC000000123831	O=c1[nH]ncc2scnc12
CC(=O)Nc3c(Cl)cc(n2c(=O)c1ccccc1c2=O)cc3Cl	ZINC000000273711	O=c2n(c1ccccc1)c(=O)c3ccccc23
COc1ccc(OC)c2[nH]ccc12	ZINC000000079050	c2ccc1[nH]ccc1c2
CCn2c(=O)c4cccc3c(S(=O)(=O)NC1CCCC1)ccc2c34	ZINC000000079052	O=c2[nH]c3ccc(S(=O)(=O)NC1CCCC1)c4cccc2c34
Oc1ccc(Br)cc1\C=N\Cc2csc3ccccc23	ZINC000000069403	C(N=Cc1ccccc1)c2csc3ccccc23
CCN(CC)CCn2c1ccccc1c3nnc(=NN)[nH]c23	ZINC000000530405	N=c3nnc2c1ccccc1[nH]c2[nH]3
C[C@H](C(N)=O)[S@@](=O)C(c1ccccc1)c2ccccc2	ZINC000000019367	C(c1ccccc1)c2ccccc2
C[N@]1[C@H]3CC[C@@H]1CC(OC(=O)c2cccc(O)c2)C3	ZINC000000394485	O=C(OC1CC2CCC(C1)N2)c3ccccc3
O=C1CCC(=O)N1c3cccc(C(=O)OCC(=O)c2ccccc2)c3	ZINC000000050245	O=C1CCC(=O)N1c3cccc(C(=O)OCC(=O)c2ccccc2)c3
CCN(CC)c3ccc(NCn2c(=O)c1ccccc1c2=O)c(C)c3	ZINC000000128679	O=c2n(CNc1ccccc1)c(=O)c3ccccc23
CN3Cc1cccc2scc(c12)S3(=O)=O	ZINC000000009057	O=S1(=O)NCc2cccc3scc1c23
COC(=O)N3CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN2CCCC2)C3	ZINC000000597739	O=C(Cc1ccccc1)N2CCNCC2CN3CCCC3
CC(=O)c3ccc(NS(=O)(=O)c1cccc2cccnc12)cc3	ZINC000000067531	O=S(=O)(Nc1ccccc1)c2cccc3cccnc23
O=C(Cc1ccccc1)Nc4ccc(c3nc2ccccc2[nH]3)cc4	ZINC000000067532	O=C(Cc1ccccc1)Nc4ccc(c3nc2ccccc2[nH]3)cc4
OCc1cccn(=O)c1	ZINC000000001683	O=n1ccccc1
CNc1nc(OC)cc(OC)n1	ZINC000000039613	c1cncnc1
CCOC(=O)C2(c1ccccc1)CCN(C)CC2	ZINC000000001681	C2CC(c1ccccc1)CCN2
CC2(C)N=C(c1ccccc1)C(C)(C)N2O	ZINC000000056714	C2NCC(c1ccccc1)=N2
CC(=O)Nc2nc1ccccc1[nH]2	ZINC000000193475	c2ccc1[nH]cnc1c2
C[C@@H]1OC=C[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000000056719	C1COC=CC1
COC(=O)CSc2[nH]c1ccc(Br)cc1c2N(=O)=O	ZINC000000198967	c2ccc1[nH]ccc1c2
CSc2nc(N)c1ccccc1n2	ZINC000000066120	c2ccc1ncncc1c2
Cc2cc(C)c1ccc(=O)cc1n2C	ZINC000000063443	O=c2ccc1ccc[nH]c1c2
CCOc2ccc(\C=N\c1ccc(Br)c(Cl)c1)cc2	ZINC000000066122	C(=Nc1ccccc1)c2ccccc2
Nc3nc2n([C@@H]1C[C@@H](O)[C@H](CO)C1=C)cnc2c(=O)[nH]3	ZINC000000005235	C=C1CCCC1n2cnc3c(=O)[nH]cnc23
Nc2nnc(SCc1ccccc1Cl)s2	ZINC000000036137	C(Sc1nncs1)c2ccccc2
COc1coc(CN)cc1=O	ZINC000000392500	O=c1ccocc1
CN(N)c1ccc(C(F)(F)F)cn1	ZINC000000165261	c1ccncc1
C[C@@H]3S[C@@]1(CN2CCC1CC2)NC3=O	ZINC000000244192	O=C3CSC1(CN2CCC1CC2)N3
NNc1ccccc1C(F)(F)F	ZINC000000162984	c1ccccc1
O=C1CCCC[C@@H]1CN2CCCCC2	ZINC000000000626	O=C1CCCCC1CN2CCCCC2
COC(=O)c3ccc2[nH]c(C)c(C[N@@](C)C1CCCCC1)c(=O)c2c3	ZINC000000144130	O=c2c(CNC1CCCCC1)c[nH]c3ccccc23
CCCc2nnc(NC(=O)c1ccc(N(=O)=O)c(Cl)c1)s2	ZINC000000050653	O=C(Nc1nncs1)c2ccccc2
NC(=S)CN1CCCC1=S	ZINC000000017885	S=C1CCCN1
Cc2cc1n(C)c(=O)n(C)c1cc2S(N)(=O)=O	ZINC000000036853	O=c2[nH]c1ccccc1[nH]2
O=c3[nH]c2ccc(S(=O)(=O)N1CCOCC1)cc2[nH]3	ZINC000000036854	O=c3[nH]c2ccc(S(=O)(=O)N1CCOCC1)cc2[nH]3
Cc1cc(C)n(C(N)=S)n1	ZINC000000092678	c1cn[nH]c1
NC(=O)OC1(CC#C)CCCCC1	ZINC000000001531	C1CCCCC1
CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc([C@@H]1O)c23	ZINC000000004010	O=c1[nH]c3cccc2CCCCn1c23
C3CCN(CCN(Cc1ccccc1)c2ccccc2)C3	ZINC000000001534	C3CCN(CCN(Cc1ccccc1)c2ccccc2)C3
Cc1ccc(CNC(C)(C)C)s1	ZINC000000105867	c1ccsc1
CCOC(=O)C3[C@@H](c1cccc(OC)c1OC)n2ncnc2N=C3C	ZINC000000070893	C2C=Nc1ncnn1C2c3ccccc3
COc3ccc2sc1ccccc1n(CCCN(C)C)c2c3	ZINC000000000488	c3ccc2sc1ccccc1[nH]c2c3
CN[C@@H](C)Cc1ccccc1OC	ZINC000000000487	c1ccccc1
Cc1ccccc1C(=O)N4CCN(c3nc2ccccc2s3)CC4	ZINC000000052879	O=C(N3CCN(c2nc1ccccc1s2)CC3)c4ccccc4
CC(=O)Nc1ccccc1C(=O)OCC(=O)c2ccc(N(=O)=O)cc2	ZINC000000062314	O=C(COC(=O)c1ccccc1)c2ccccc2
CC2(C)C[C@](Cc1ccccc1)([C@@H](CN)CO)CCO2	ZINC000000191084	C2CC(Cc1ccccc1)CCO2
O=C(NCCc2nc1ccccc1[nH]2)[C@@H]4COc3ccccc3O4	ZINC000000031850	O=C(NCCc2nc1ccccc1[nH]2)C4COc3ccccc3O4
OCc1cc(F)cc(F)c1	ZINC000000164758	c1ccccc1
CN(C)CCc1ccccn1	ZINC000000164755	c1ccncc1
CNCc1ccc(C(F)(F)F)cc1	ZINC000000161983	c1ccccc1
CNCc1cccc(C(F)(F)F)c1	ZINC000000161982	c1ccccc1
CNCc1ccc(Cl)cc1	ZINC000000161985	c1ccccc1
CC(C)NCC(=O)Nc1cc(N(C)C)nc2ccccc12	ZINC000000355055	c2ccc1ncccc1c2
C[n+]2cccc(C(=N\O)/c1ccccc1)c2	ZINC000000439991	N=C(c1ccccc1)c2cccnc2
CC2CCN(CC[C@@H](C)N(C)S(=O)(=O)c1cccc(C)c1)CC2	ZINC000000007275	O=S(=O)(NCCCN1CCCCC1)c2ccccc2
Cn1nccc1c2ccccc2O	ZINC000000139910	c2ccc(c1ccn[nH]1)cc2
CC(C)(C)c1ccc(C(N)=O)cc1	ZINC000000030108	c1ccccc1
CNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000000030109	c1ccccc1
CC[C@@H](C)c2ccc(O)c(NC(=O)c1cncc(Br)c1)c2	ZINC000000206253	O=C(Nc1ccccc1)c2cccnc2
COC(=O)[n+]1cccc(C)c1	ZINC000000406411	c1ccncc1
NCc1ccc(C(F)(F)F)nc1	ZINC000000154410	c1ccncc1
CS(=O)(=O)c1cc(F)ccc1N2CCNCC2	ZINC000000154145	C2CN(c1ccccc1)CCN2
NC(=N)c1ccc(C(F)(F)F)nc1	ZINC000000154415	c1ccncc1
CN1CCOCCOCCOCC1	ZINC000000242349	C1COCCOCCOCCN1
CC(=O)n1cc(C)c(=O)[nH]c1=O	ZINC000000011019	O=c1cc[nH]c(=O)[nH]1
CC(=O)c2cc1sccc1[nH]2	ZINC000000108049	c2cc1sccc1[nH]2
CC3(C)CC(NC(=O)c2scc1CCCCc12)CC(C)(C)N3	ZINC000000140798	O=C(NC1CCNCC1)c3scc2CCCCc23
CCOC(=O)C(=C/c1ncc(N(=O)=O)n1C)/C(C)=O	ZINC000000001990	c1c[nH]cn1
O=N(=O)c2ccc1c(=O)[nH]sc1c2	ZINC000000034756	O=c1[nH]sc2ccccc12
CN(C)Cc2c(O)ccc3occ([C@@H](O)c1ccccc1)c23	ZINC000000196731	C(c1ccccc1)c2coc3ccccc23
NC(=N)c1cccnc1	ZINC000000165409	c1ccncc1
CCOC(=O)C2CCN(Cc1ccc(F)c(F)c1)CC2	ZINC000000239176	C2CCN(Cc1ccccc1)CC2
CC[C@@H]3CSC4=[N+](c1ccccc1)[C@@](O)(c2ccc(OC)cc2)CN34	ZINC000000623116	C4CN3CC(c1ccccc1)[N+](c2ccccc2)=C3S4
COc2cc(CCc1ccc(O)c(O)c1)cc(OC)c2	ZINC000000024638	C(Cc1ccccc1)c2ccccc2
Cc2nc1ccc(C(O)=O)cc1c3O[C@H](CN)Cc23	ZINC000000517628	C3Cc2cnc1ccccc1c2O3
CC(=O)Nc2ccc(/N=C/c1cc(Br)ccc1O)cc2	ZINC000000061151	C(=Nc1ccccc1)c2ccccc2
CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@H]1c2cccc(O)c2	ZINC000000186849	O2C=CC(c1ccccc1)C=C2
Fc1ccccc1NC(=S)N/N=C/c3ccc(N2CCOCC2)o3	ZINC000000261167	S=C(NN=Cc2ccc(N1CCOCC1)o2)Nc3ccccc3
Cc3ccc(c2cnc1ccccc1[n+]2C)c(C)c3	ZINC000000064438	c3ccc(c2cnc1ccccc1n2)cc3
Brc3ccc(c2noc(c1ccc(N(=O)=O)cc1)n2)cc3	ZINC000000080665	c3ccc(c2noc(c1ccccc1)n2)cc3
ON2[C@H]1CCN[C@H](C1)C2=O	ZINC000000004888	O=C1NC2CCNC1C2
O=C(C1CCNCC1)N4CCN(c2cccc3[nH]ccc23)CC4	ZINC000000025900	O=C(C1CCNCC1)N4CCN(c2cccc3[nH]ccc23)CC4
Cc1nc(C#N)c(C#N)nc1C	ZINC000000106683	c1cnccn1
COc2ccc(CCNS(=O)(=O)c1ccc(C)cc1)cc2OC	ZINC000000087365	O=S(=O)(NCCc1ccccc1)c2ccccc2
FC(F)Oc3ccc(C(=O)CSc2nc1ccccc1[nH]2)cc3	ZINC000000042209	O=C(CSc2nc1ccccc1[nH]2)c3ccccc3
C2CN=C(COc1cccnc1)N2	ZINC000000066462	C2CN=C(COc1cccnc1)N2
CN(C)c2ccc(C1OCCO1)cc2	ZINC000000097407	C2COC(c1ccccc1)O2
Cc1ccc(S(C)(=O)=O)cc1N(=O)=O	ZINC000000054928	c1ccccc1
COCc3cc(C)c(C#N)c(SCc2nc1ccccc1[nH]2)n3	ZINC000000050012	C(Sc1ccccn1)c3nc2ccccc2[nH]3
CCOC(=O)c2ccc(NC(=S)NC(=O)c1ccc(F)cc1)cc2	ZINC000000328689	O=C(NC(=S)Nc1ccccc1)c2ccccc2
ClC1=CC[C@@H]3[C@@H](C1)C(=O)N(CC[n+]2ccccc2)C3=O	ZINC000000105262	O=C2C1CC=CCC1C(=O)N2CC[n+]3ccccc3
C[C@@H]1C[N@@](C)[C@H](C)C[C@@H]1NC2CCN(S(C)(=O)=O)CC2	ZINC000036908735	C2CC(NC1CCNCC1)CCN2
COC(=O)c2ccn(COc1ccc(Cl)cc1)n2	ZINC000000032361	C(Oc1ccccc1)n2cccn2
Cc1cc(C=O)cc(C)c1O	ZINC000000152673	c1ccccc1
FC(F)(F)c1ccc(=S)[nH]c1	ZINC000000077861	S=c1cccc[nH]1
C[N@]1CCC[C@@H]1c2ccc[nH]c2=O	ZINC000000518827	O=c1[nH]cccc1C2CCCN2
CC(=O)Nc4ccc3c(CCC2CCN(Cc1ccccc1)CC2)noc3c4	ZINC000000606711	C2CN(Cc1ccccc1)CCC2CCc3noc4ccccc34
O=C(N2CCN(C[C@H]1CCC=CC1)CC2)c3ccco3	ZINC000000316628	O=C(N2CCN(CC1CCC=CC1)CC2)c3ccco3
Cc3ccc(c2n(C)c1ccccc1[n+]2C)cc3	ZINC000000137052	c3ccc(c2nc1ccccc1[nH]2)cc3
Cc1ccccc1OC[C@H](O)C[n+]2cn(C)c3cc(C)c(C)cc23	ZINC000000307203	C(COc1ccccc1)C[n+]2c[nH]c3ccccc23
Cc1ccccc1NC(=O)[C@@H]2CC(=O)OC23CCCCC3	ZINC000000034608	O=C3CC(C(=O)Nc1ccccc1)C2(CCCCC2)O3
CN(c1ccccc1)c4nc(N2CCOCC2)nc(n3ccnc3)n4	ZINC000000022108	C4CN(c3nc(Nc1ccccc1)nc(n2ccnc2)n3)CCO4
N#Cc2ccc1ccccc1n2	ZINC000000112436	c2ccc1ncccc1c2
Cc3ccc(NC2=NC1(CCCC1)NC(=N)N2)cc3	ZINC000000203776	N=C3NC(Nc1ccccc1)=NC2(CCCC2)N3
O=C1CCCc2c1cnn2Cc3ccccc3	ZINC000000018555	O=C1CCCc2c1cnn2Cc3ccccc3
Cc1cc([N+](C)(C)C)ccc1N	ZINC000000281861	c1ccccc1
Cc2ccc1oc(=O)ccc1c2	ZINC000000057740	O=c2ccc1ccccc1o2
CCCn2ncc1C(=O)CCCc12	ZINC000000018553	O=C1CCCc2[nH]ncc12
Clc2cc1[nH]c(=O)oc1cc2Br	ZINC000000001052	O=c2[nH]c1ccccc1o2
Nc2cc[n+](Cc1ccccc1)cc2	ZINC000000401669	C(c1ccccc1)[n+]2ccccc2
CC[C@@H]3C[N+]2(C)CCc1cc(OC)c(OC)cc1[C@@H]2CC3=O	ZINC000000044568	O=C3CCN2CCc1ccccc1C2C3
CC(=O)Nc1ccc(CC#N)cc1	ZINC000000133619	c1ccccc1
CC(=O)N=C2Nc1ccccc1[C@H]2O	ZINC000000263376	N=C2Cc1ccccc1N2
CC1(C)NC(=N)NC(=N)N1c2cccc(C(F)(F)F)c2	ZINC000000098181	N=C2NCN(c1ccccc1)C(=N)N2
ONC(=O)N[C@@H]1C[C@H]1c2ccccc2	ZINC000000012846	C1CC1c2ccccc2
CN(C)CCn1c(=O)[nH]c(=O)c2n(C)cnc12	ZINC000000485643	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
COC(=O)C#Cc1ccc(N(=O)=O)cc1	ZINC000000009192	c1ccccc1
CC[N@]2CCN(C)C[C@H](NC(=O)c1cc(Cl)c(NC)cc1OC)C2	ZINC000000595006	O=C(NC1CNCCNC1)c2ccccc2
CN2CCC(NCc1cccc(F)c1)CC2	ZINC000000277068	C2CC(NCc1ccccc1)CCN2
CC1(C)NC(=N)NC(=N)N1c2ccc(Cl)cc2	ZINC000000001233	N=C2NCN(c1ccccc1)C(=N)N2
CN(C)CCSc2nc1ccccc1[nH]2	ZINC000000182695	c2ccc1[nH]cnc1c2
C[C@@H]1CNC(C)(C)[C@@H](O)C1	ZINC000000093407	C1CCNCC1
NC1(C(O)=O)CCCC1	ZINC000000001234	C1CCCC1
Clc1ccc(Cl)c(S(=O)(=O)N(CC#N)CC#N)c1	ZINC000000029488	c1ccccc1
COc3cc2nc(N1CCNCC1)nc(N)c2cc3OC	ZINC000000203311	C3CN(c2ncc1ccccc1n2)CCN3
Clc4ccc3NC(NCC1CC1)=C[N+](=O)C(c2ccccc2)c3c4	ZINC000000001238	O=[N+]3C=C(NCC1CC1)Nc2ccccc2C3c4ccccc4
CCN(CC)C(=O)c1ccccc1F	ZINC000000029735	c1ccccc1
Nc1c(F)cccc1F	ZINC000000159273	c1ccccc1
Cc2cc(n1c(=O)ccc1=O)no2	ZINC000000091370	O=c1ccc(=O)n1c2ccon2
NC(=S)Nc1c(F)cccc1F	ZINC000000098989	c1ccccc1
Oc2ccc(NC(=O)\C=C\c1ccccc1)cc2	ZINC000000037867	O=C(Nc1ccccc1)C=Cc2ccccc2
Cc2cc(C)c(C(=O)Nc1cccc(Br)c1)c(C)c2	ZINC000000037864	O=C(Nc1ccccc1)c2ccccc2
O=C(NC(=S)Nc2ccc(N1CCOCC1)cc2)c3cccs3	ZINC000000117142	O=C(NC(=S)Nc2ccc(N1CCOCC1)cc2)c3cccs3
Cc3ccc(n2c(=O)[nH]c(=O)c(=Cc1ccco1)c2=O)cc3	ZINC000000063167	O=c2[nH]c(=O)c(=Cc1ccco1)c(=O)n2c3ccccc3
O=c3ccc2cccc(N1CCNCC1)c2o3	ZINC000000004465	O=c3ccc2cccc(N1CCNCC1)c2o3
CCOC(=O)c3nc2c1cc(C)ccc1n(CC)c(=O)n2n3	ZINC000000004467	O=c2[nH]c1ccccc1c3ncnn23
CC(C)Nc2nc(N1CCNCC1)nc(Cl)c2C	ZINC000000004468	C2CN(c1ncccn1)CCN2
Cc2ccc(CSC1=NCCCN1)cc2C	ZINC000000144275	C2CNC(SCc1ccccc1)=NC2
CCOC(=O)c2cnc1c(C)c(Cl)ccc1c2NCCN(C)C	ZINC000000132709	c2ccc1ncccc1c2
FC(F)(F)c2cccc(\C=C(/C#N)C(=O)NC[C@@H]1CCCO1)c2	ZINC000000037472	O=C(NCC1CCCO1)C=Cc2ccccc2
CC(C)C[C@H]1NC(=S)N(CC=C)C1=O	ZINC000000000018	O=C1CNC(=S)N1
Nc2nc(=O)n([C@H]1O[C@@H](CO)C=C1)cc2F	ZINC000000007048	O=c1ncccn1C2OCC=C2
CCC(C)(C)c3ccc(OC1=NS(=O)(=O)c2ccccc12)cc3	ZINC000000058748	O=S3(=O)N=C(Oc1ccccc1)c2ccccc23
CN(C)CCn1cnc2n(C)c(=O)[nH]c(=O)c12	ZINC000000094845	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CO[C@@](C#N)(c1ccccc1)C(F)(F)F	ZINC000000056502	c1ccccc1
C[N@]1CCC[C@@H]1CO	ZINC000000391249	C1CCNC1
C/C(=N\NC(=S)Nc1ccc(C)cc1)c2ccc(N(=O)=O)cc2	ZINC000000046235	S=C(NN=Cc1ccccc1)Nc2ccccc2
COc1ccc(CC(=O)OCCN(C)C)cc1OC	ZINC000000379343	c1ccccc1
CN(C)C(=O)Oc3ccc(OCc2n(C)c1ccccc1[n+]2C)cc3	ZINC000000387384	C(Oc1ccccc1)c3nc2ccccc2[nH]3
CN(C)C(=O)Oc3ccc2n(C)c(c1ccccc1)c[n+]2c3	ZINC000000387381	c3ccc(c2c[n+]1ccccc1[nH]2)cc3
O=C(N1CCCCC1)c3ccc2OCOc2c3	ZINC000000006311	O=C(N1CCCCC1)c3ccc2OCOc2c3
O=C(Cc1ccccc1)Nc2ccncc2	ZINC000000029643	O=C(Cc1ccccc1)Nc2ccncc2
COc1ccc(CCN)cc1OC2CCCC2	ZINC000000006316	C2CCC(Oc1ccccc1)C2
Cc3nc2cc1n[nH][nH]c1cc2n3	ZINC000000244413	c3nc2cc1n[nH][nH]c1cc2n3
CC[C@H]1CO[C@](C)(CCC(C)C)N1	ZINC000000155951	C1COCN1
CCOc3cc(CN2CCN(c1ccccn1)CC2)ccc3O	ZINC000000291961	C2CN(c1ccccn1)CCN2Cc3ccccc3
O=C2C[C@@H](c1ccccc1)CN2	ZINC000000217193	O=C2CC(c1ccccc1)CN2
O=CN2CCN(C(=O)c1ccccc1)CC2	ZINC000000040695	O=C(N1CCNCC1)c2ccccc2
Cc3ccc([C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c12)cc3	ZINC000000043078	O=c3occc2OC=CC(c1ccccc1)c23
Cc1ccc(NC(=O)/C=C/C(O)=O)cc1Br	ZINC000000050821	c1ccccc1
NS(=O)(=O)c3ccc(n1cccc1\C=N\n2cnnc2)cc3	ZINC000000034102	C(=Nn1cnnc1)c2cccn2c3ccccc3
O=CNN2CN[N+](Cc1ccccc1)=C2	ZINC000000401330	C2NC=[N+](Cc1ccccc1)N2
Cn1cc[n+](C)c1SC[C@@H](O)c2ccccc2	ZINC000000331443	C(Cc1ccccc1)Sc2ncc[nH]2
CC(C)OC(=O)C1=C(C)N(C)C(=O)N[C@H]1c2ccc(N(C)C)cc2	ZINC000000078708	O=C2NC=CC(c1ccccc1)N2
Cc2n(C)c1ccccc1[n+]2CS(C)(=O)=O	ZINC000000282365	c2ccc1[nH]cnc1c2
Cc3ccc(NN=c2c(N)nn(c1ccccc1)c2=O)cc3	ZINC000000042694	O=c2n(c1ccccc1)ncc2=NNc3ccccc3
C[C@@H]2Cc1cc(O)ccc1C2=O	ZINC000000074748	O=C1CCc2ccccc12
CCN(c1ccccc1)S(=O)(=O)N(C)C	ZINC000000030846	c1ccccc1
Cn4c2c1ccccc1C[n+]2c3ccccc3c4=O	ZINC000000225105	O=c3[nH]c2c1ccccc1C[n+]2c4ccccc34
NC(=N)NC(=N)S[C@@H]2CC(=O)N(c1ccccc1)C2=O	ZINC000000051993	O=C1CCC(=O)N1c2ccccc2
CC(=O)C(C)(C)C[N+](C)(C)C	ZINC000000162329	nonring
COC(=O)c1sccc1NC(=O)c2ccccc2Cl	ZINC000000080416	O=C(Nc1ccsc1)c2ccccc2
C2CCN(CCc1ccncc1)C2	ZINC000000163336	C2CCN(CCc1ccncc1)C2
NC(=S)N/N=C/c1ccc(Cl)cc1Cl	ZINC000000028057	c1ccccc1
NC1(CO)CCCC1	ZINC000000154791	C1CCCC1
Nc2nnc(c1cccc(Cl)c1Cl)c(N)n2	ZINC000000013156	c2ccc(c1cncnn1)cc2
Cc1csc(C)n1	ZINC000000150863	c1cscn1
C[n+]1c(CO)sc2ccccc12	ZINC000000283588	c2ccc1scnc1c2
Clc1ccc(CC#N)cc1	ZINC000000157142	c1ccccc1
COc3ccc2ccc1OC[C@H](NC(C)=O)Cc1c2c3	ZINC000000017521	C3COc2ccc1ccccc1c2C3
CC(C)(C)OC(=O)N2CCN(c1ccc(CN)cc1)CC2	ZINC000000168873	C2CN(c1ccccc1)CCN2
Cc2nnc(NC(=O)Cc1ccc(Br)cc1)s2	ZINC000000031714	O=C(Cc1ccccc1)Nc2nncs2
COc4ccc3[C@@H]2CC[C@]1(C)[C@H](CC[C@@]1(O)C#C)[N@]2CCc3c4	ZINC000000000259	C4CC3CCC1N(CCc2ccccc12)C3C4
Cc1ccc(N(=O)=O)c(C)[n+]1C	ZINC000000321153	c1ccncc1
CC(C)(C)c1cc(C#N)ccn1	ZINC000000065251	c1ccncc1
Oc2ccc(\C=C(/C#N)C(=O)Nc1nccs1)cc2O	ZINC000000016652	O=C(Nc1nccs1)C=Cc2ccccc2
CCOc2ccc(N=c1sc(C(C)=O)c(C)n1CCO)cc2	ZINC000000033578	N(c1ccccc1)=c2[nH]ccs2
C=CCN(CC=C)S(=O)(=O)c1cccc2nsnc12	ZINC000000049253	c2ccc1nsnc1c2
Cc1cccc(C)c1NC(=O)CN2CCCC2=O	ZINC000000003788	O=C(CN1CCCC1=O)Nc2ccccc2
Cc4cnc5c(NCCN1CCCCC1)nc3cc2ccccc2cc3n45	ZINC000000594520	C5CCN(CCNc3nc2cc1ccccc1cc2n4ccnc34)CC5
NC(=S)/N=C/c1cccc(Cl)c1	ZINC000000151667	c1ccccc1
CC[C@]4(c1cccs1)Oc2ccccc2n3cccc3C4=O	ZINC000000024170	O=C3C(c1cccs1)Oc2ccccc2n4cccc34
COc2ccc(C(=O)N1C[C@@H](C)O[C@H](C)C1)c(OC)c2	ZINC000000029907	O=C(N1CCOCC1)c2ccccc2
Cc1cc(C)[n+](C)c(=O)n1C	ZINC000000391780	O=c1nccc[nH]1
Cc4cc(N)n(c2nc(c1cccnc1)nc3ccccc23)n4	ZINC000000038134	c4cncc(c3nc(n1cccn1)c2ccccc2n3)c4
NCc1ccc(F)cc1C(F)(F)F	ZINC000000157362	c1ccccc1
Cc4ccc(c2nnc(N1CCCCCC1)c3ccccc23)cc4	ZINC000000038136	C4CCCN(c2nnc(c1ccccc1)c3ccccc23)CC4
CC2(C)C=CN(C(=O)Nc1ccccc1)C=C2	ZINC000000002561	O=C(Nc1ccccc1)N2C=CCC=C2
Cc3ccc(C)c(COc2ccc1c(C)c(C)c(=O)oc1c2)c3	ZINC000000012096	O=c3ccc2ccc(OCc1ccccc1)cc2o3
CC(C)c4ccc(NC(=O)Oc3ccc2N[C@@H]1NCC[C@@]1(C)c2c3)cc4	ZINC000000585991	O=C(Nc1ccccc1)Oc4ccc3NC2NCCC2c3c4
CNc1ccc(Br)nc1	ZINC000000330907	c1ccncc1
C[C@H]1NC(=O)[C@H](C)NC1=O	ZINC000000039525	O=C1CNC(=O)CN1
Cc2nn(c1ccccc1)c(C)c2[C@@H]4Nc3ccccc3C(=O)N4O	ZINC000000039424	O=C3NC(c2cnn(c1ccccc1)c2)Nc4ccccc34
Cn2nc(c1cccc(F)c1)n(C)c2=S	ZINC000000004928	S=c2[nH]nc(c1ccccc1)[nH]2
Cc3cc(C)[n+]2c(c1ccccc1)csc2n3	ZINC000000041311	c3ccc(c1csc2nccc[n+]12)cc3
COC(=O)c1c(C)[nH]c(C)c1C(C)=O	ZINC000000113280	c1cc[nH]c1
Cc1cccc(C)c1NC(=O)[C@@H]2CCCNC2	ZINC000000243694	O=C(Nc1ccccc1)C2CCCNC2
Nc1ccc(F)cc1Br	ZINC000000159787	c1ccccc1
Cc2[nH]c1ccccc1c2CC#N	ZINC000000135259	c2ccc1[nH]ccc1c2
CC(C)c2ccc(C(=O)C[C@H](NCc1ccc(F)cc1)C(O)=O)cc2	ZINC000000044995	O=C(CCNCc1ccccc1)c2ccccc2
Cc1ccccc1C[N+](C)(C)CCC(=O)c2ccccc2	ZINC000000028263	O=C(CCNCc1ccccc1)c2ccccc2
Cc2nn(C)c(C(=O)Sc1ccc(C(F)(F)F)cn1)c2N(=O)=O	ZINC000000123217	O=C(Sc1ccccn1)c2ccn[nH]2
Cc1noc(C)c1NC(N)=O	ZINC000000111668	c1cnoc1
CC[N@]1CCCCC[C@@H]1CO	ZINC000000436627	C1CCCNCC1
COc1ccccc1NN	ZINC000000078213	c1ccccc1
COc2ccc([C@@H]1OC1(C(N)=O)C(N)=O)cc2	ZINC000000027679	C1OC1c2ccccc2
COc2ccc(CCNC1=NCCN1)cc2OC	ZINC000000017381	C2CN=C(NCCc1ccccc1)N2
C3CN=C(NCCc2ccc1OCOc1c2)N3	ZINC000000017382	C3CN=C(NCCc2ccc1OCOc1c2)N3
C[C@H]3C[C@H](NC(=O)c2ccc(Oc1ccccc1)cc2)CC(C)(C)C3	ZINC000000036292	O=C(NC1CCCCC1)c3ccc(Oc2ccccc2)cc3
CC(C)NCCc1c[nH]c2ccccc12	ZINC000000068848	c2ccc1[nH]ccc1c2
Clc3ccc(Nc2cc(=O)n(c1ccccc1)c2=O)cc3	ZINC000000046594	O=c2cc(Nc1ccccc1)c(=O)n2c3ccccc3
C3CN(Cc1c[nH]c2ncccc12)CCC3CCc4ccccc4	ZINC000000022901	C3CN(Cc1c[nH]c2ncccc12)CCC3CCc4ccccc4
Cc2cnc(N1CCNCC1)nc2C	ZINC000000010718	C2CN(c1ncccn1)CCN2
Cc2ccnc(N1CCNCC1)n2	ZINC000000010716	C2CN(c1ncccn1)CCN2
O=C2CSc1ccccc1N2	ZINC000000050222	O=C2CSc1ccccc1N2
O=N(=O)c2ccc(c1nnco1)cc2	ZINC000000050220	c2ccc(c1nnco1)cc2
Cn1cc(CCN)c2ccccc12	ZINC000000332736	c2ccc1[nH]ccc1c2
Br[C@@]12CCCC[C@@H]1CNCC2	ZINC000000158431	C2CCC1CNCCC1C2
CN1CCC(C)(O)CC1	ZINC000000158439	C1CCNCC1
N#Cc2cccc(n1cccc1)c2	ZINC000000150209	c2ccc(n1cccc1)cc2
COc3ccc(c2c(C)c1cc(O)ccc1oc2=O)cc3	ZINC000000058029	O=c2oc1ccccc1cc2c3ccccc3
CN2c1ccccc1CNc3cncnc23	ZINC000000005251	C2Nc1cncnc1Nc3ccccc23
O=C([C@H]2CCc1[nH]cnc1C2)N3CCc4ccccc34	ZINC000000005253	O=C(C2CCc1[nH]cnc1C2)N3CCc4ccccc34
CCOC(=O)Cn3c2cccc1cccc(c12)[n+]4nc5c(cc34)c7cccc6cccc5c67	ZINC000000629052	c2cc1cccc5c1c(c2)[nH]c4cc3c7cccc6cccc(c3n[n+]45)c67
Cc2nc1ccccc1c(=O)n2c3cccc(O)c3	ZINC000000102305	O=c2n(c1ccccc1)cnc3ccccc23
CCCc1nnc(NC(=O)CC(=O)NCC)s1	ZINC000000040191	c1nncs1
Cc4ccc(C)c(Cc3c(C)nc2c(C(=O)NC1CC1)cnn2c3C)c4	ZINC000000217858	O=C(NC1CC1)c3cnn4cc(Cc2ccccc2)cnc34
Cn2c(=O)n(C)c(=O)c(=C/C=C/c1ccccc1)c2=O	ZINC000000041869	O=c2[nH]c(=O)c(=CC=Cc1ccccc1)c(=O)[nH]2
CN(C)c1ccccc1CSc2nccn2C	ZINC000000004075	C(Sc1ncc[nH]1)c2ccccc2
N#Cc1ccccc1n2cccc2	ZINC000000094479	c2ccc(n1cccc1)cc2
Cc3ccc2n(C)c(=O)c1cc(N)ccc1oc2c3	ZINC000000041863	O=c2[nH]c1ccccc1oc3ccccc23
OC2=NN(c1cccc(Cl)c1)CCN2	ZINC000000004072	C2CN(c1ccccc1)N=CN2
C[C@@H]2CN(c1ccccc1)NC(=O)N2	ZINC000000004070	O=C2NCCN(c1ccccc1)N2
CC(=C)C[C@@H]1C(Br)=CCC[N+]1(C)C	ZINC000000055886	C1CC=CCN1
CCOC(=O)c4ccc(/N=C/c3ccc2c(Cc1ccccc12)c3)cc4	ZINC000000063318	C3c1ccccc1c4ccc(C=Nc2ccccc2)cc34
CCCc2nnc(NC(=O)c1cccc(C)c1)s2	ZINC000000051174	O=C(Nc1nncs1)c2ccccc2
Clc2ccc(C(=O)Nc1ncccn1)cc2	ZINC000000051175	O=C(Nc1ncccn1)c2ccccc2
CN2CCN([C@H]1CNC[C@@H]1O)CC2	ZINC000021953399	C2CC(N1CCNCC1)CN2
O[C@@]23Oc1ccccc1C=C2N4CCC3CC4	ZINC000000052855	C1CN4CCC1C3Oc2ccccc2C=C34
NC(=N)c1cc(Cl)nc(Cl)c1	ZINC000000163105	c1ccncc1
NNc2nc(N)nc(c1cccnc1)n2	ZINC000000163109	c2cncc(c1ncncn1)c2
NC(=O)n2c1ccccc1ccc3ccccc23	ZINC000000004785	c3ccc2[nH]c1ccccc1ccc2c3
C[N+](C)(C)CCOc2ccc1nc(N)sc1c2	ZINC000000216108	c2ccc1scnc1c2
C[C@@H]1CNCCN1S(N)(=O)=O	ZINC000167516158	C1CNCCN1
COc4ccc([N+]3=C1CCCCN1[C@@](O)(c2ccccc2)C3)cc4	ZINC000000425737	C4CCC3=[N+](c1ccccc1)CC(c2ccccc2)N3C4
C[N+](C)(C)/C=C/C(=O)c1ccccc1	ZINC000000157963	c1ccccc1
C=Cn1cnc2ccccc12	ZINC000000047335	c2ccc1[nH]cnc1c2
NOCC3(Nc1ccccc1)CCN(Cc2ccccc2)CC3	ZINC000000392127	C2CN(Cc1ccccc1)CCC2Nc3ccccc3
Nc1ccccc1SC=C	ZINC000000047330	c1ccccc1
Clc2ccc1[nH]c(=O)[nH]c1c2	ZINC000000399830	O=c2[nH]c1ccccc1[nH]2
CS(=O)(=O)N1CCc2ccccc12	ZINC000000122792	C2Cc1ccccc1N2
Brc3ccc2OCc1noc(=O)n1c2c3	ZINC000000007253	O=c3onc2COc1ccccc1n23
C(CN2CCN(c1ncccn1)CC2)Nc4ccc3ccccc3n4	ZINC000000007523	C(CN2CCN(c1ncccn1)CC2)Nc4ccc3ccccc3n4
O[C@@H](COc1c(F)cc(Br)cc1F)CN2CCCC2	ZINC000000230599	C2CCN(CCCOc1ccccc1)C2
CC(C)NC[C@@H](O)c1ccc(O)cc1	ZINC000000000209	c1ccccc1
CCCC(=O)c2cnc1c(F)cccc1c2Nc3ccc(O)cc3C	ZINC000000010922	N(c1ccccc1)c2ccnc3ccccc23
O=Cc2ccc1OCOc1c2	ZINC000000001953	C2Oc1ccccc1O2
O=C2CS(=O)(=O)C1(CCCCC1)N2	ZINC000000105018	O=C2CS(=O)(=O)C1(CCCCC1)N2
COc1ccc(Cl)cc1C(=O)NCc2ccccn2	ZINC000000030436	O=C(NCc1ccccn1)c2ccccc2
O=C([C@H](Sc1ccccc1)c2ccccc2)N(CC#N)CC#N	ZINC000000030430	C(Sc1ccccc1)c2ccccc2
COc1cccc(F)c1O	ZINC000000389602	c1ccccc1
COc1cc(CN)cc(OC)c1	ZINC000000389606	c1ccccc1
CCn2c[n+](C[C@@H](O)COc1cccc(OC)c1)c3ccccc23	ZINC000000089094	C(COc1ccccc1)C[n+]2c[nH]c3ccccc23
C[C@@H](NC(=O)c1ccccc1)c2ccccc2	ZINC000000038450	O=C(NCc1ccccc1)c2ccccc2
Nc2nc(c1ccccc1)ccn2=O	ZINC000000225378	O=n2ccc(c1ccccc1)nc2
COC(=O)c2cccc(NC(=S)N1CCN(C)CC1)c2	ZINC000000134477	S=C(Nc1ccccc1)N2CCNCC2
CC(=O)c2ccc[n+](C(=O)Cc1ccccc1)c2	ZINC000000386973	O=C(Cc1ccccc1)[n+]2ccccc2
COc3cc2CCc1c[nH]nc1c2c(OC)c3OC	ZINC000000041485	C2Cc1c[nH]nc1c3ccccc23
FC(F)Oc2ccc(C[N+](=O)c1ccccc1)cc2	ZINC000000084388	O=[N+](Cc1ccccc1)c2ccccc2
CC[C@@H]2CSC(Nc1c(C)cccc1C)=N2	ZINC000000071831	C2CN=C(Nc1ccccc1)S2
O=C1CNC(=S)N1CCc2ccccc2	ZINC000000076820	O=C1CNC(=S)N1CCc2ccccc2
C[C@H]2C[C@H](C)CN(C(=O)c1ccc(C)cc1)C2	ZINC000000029228	O=C(N1CCCCC1)c2ccccc2
O=C(COC(=O)C2c1ccccc1Oc3ccccc23)c4ccccc4	ZINC000000066507	O=C(COC(=O)C2c1ccccc1Oc3ccccc23)c4ccccc4
CC(C)(C)[C@H](N)Cn1ccnc1	ZINC000000111472	c1c[nH]cn1
N=C1SCCN1CC(=O)c2ccccc2	ZINC000000190006	N=C1SCCN1CC(=O)c2ccccc2
CC(=O)Nc1ccc(C#N)cc1OC(F)(F)F	ZINC000000128897	c1ccccc1
CC(C)(C)C(=O)C=C(N)c1cccnc1	ZINC000000082205	c1ccncc1
O=C(Oc2ccc(C1SCCS1)cc2)c3ccc(N(=O)=O)cc3	ZINC000000031527	O=C(Oc2ccc(C1SCCS1)cc2)c3ccccc3
Fc2ccc(N1C(=O)CCC1=O)cc2	ZINC000000031529	O=C1CCC(=O)N1c2ccccc2
OCn3nc(Nc1ccccc1)n(c2ccccc2)c3=S	ZINC000000003575	S=c2[nH]nc(Nc1ccccc1)n2c3ccccc3
CC(NNc1nncc2ccccc12)=C3C(=O)CC(C)(C)CC3=O	ZINC000000268723	O=C1CCCC(=O)C1=CNNc2nncc3ccccc23
Cc2cc(C)n(c1ccc(=O)[nH]n1)n2	ZINC000000054843	O=c2ccc(n1cccn1)n[nH]2
CCOC(=O)c2sc(NC(=O)c1ccc(N(=O)=O)cc1)nc2C	ZINC000000083269	O=C(Nc1nccs1)c2ccccc2
C[C@H](NC[C@@H](O)COc1ccccc1)[C@@H]3COc2ccccc2O3	ZINC000000249310	C(CNCC2COc1ccccc1O2)COc3ccccc3
N[C@@H]2CC(=O)N(C1CCCCC1)C2=O	ZINC000000054903	O=C1CCC(=O)N1C2CCCCC2
C[N@]3CCC[C@@H](OC(=O)C(c1ccccc1)c2ccccc2)C3	ZINC000000250438	O=C(OC1CCCNC1)C(c2ccccc2)c3ccccc3
COc2cc(OC)c(NCCC(=O)c1cccs1)cc2Cl	ZINC000000053627	O=C(CCNc1ccccc1)c2cccs2
O[C@@H](c1cccnc1)c2cccs2	ZINC000000045903	C(c1cccnc1)c2cccs2
CC(C)(C)CC[n+]1ccc(C(N)=O)cc1	ZINC000000254726	c1ccncc1
NCCn1ncc2cc(F)ccc12	ZINC000000017261	c2ccc1[nH]ncc1c2
COC(=O)CCC(=O)Nc1ccc(C)c(I)c1	ZINC000000288390	c1ccccc1
OC(=O)CS(=O)(=O)c1ccccc1	ZINC000000039685	c1ccccc1
C3CN(c2nccc(OCc1ccccc1)n2)CCN3	ZINC000000003314	C3CN(c2nccc(OCc1ccccc1)n2)CCN3
O=N(=O)C2=Cc1ccccc1O[C@@H]2c3ccccc3	ZINC000000033966	O2C(c1ccccc1)C=Cc3ccccc23
COc1ccc(CC#N)c(O)c1OC	ZINC000000033964	c1ccccc1
C[C@@H]2C(c1ccccc1)[N+](=O)C(C)(C)N2O	ZINC000000201551	O=[N+]1CNCC1c2ccccc2
CN(C)c2ccc(CN1CCSCC1)cc2	ZINC000000201550	C2CN(Cc1ccccc1)CCS2
Cc2cc(C)c1c(N)csc1n2	ZINC000000046454	c2cnc1sccc1c2
C[C@@H](CN1CCCC1)OC(=O)c2ccccc2Br	ZINC000000210675	O=C(OCCN1CCCC1)c2ccccc2
CCO[C@]3(C)N(Nc1ccccc1C(=O)CC)c2ccccc2C3=O	ZINC000000078688	O=C2CN(Nc1ccccc1)c3ccccc23
COc3ccc(c1cscc1c2ccc(S(C)(=O)=O)cc2)cc3	ZINC000000018712	c3ccc(c1cscc1c2ccccc2)cc3
COc1nc(C)cc(C)c1C(N)=O	ZINC000000052684	c1ccncc1
Cc4ncc(c1nnnn1c2ccccc2)c(c3cccc(Cl)c3)n4	ZINC000000133806	c4ccc(c1ncncc1c2nnnn2c3ccccc3)cc4
CC(C)(O)C#Cc1ccc(\C=N/O)cc1	ZINC000000161419	c1ccccc1
OCC1CCNCC1	ZINC000000161414	C1CCNCC1
Clc2cccc(SC1CCNCC1)n2	ZINC000000000958	C2CC(Sc1ccccn1)CCN2
CC(=O)Oc1ccccc1n3c(=O)c2ccc(N(=O)=O)cc2c3=O	ZINC000000060129	O=c2n(c1ccccc1)c(=O)c3ccccc23
Cc2[nH]c1ccc(N(=O)=O)cc1c2CCN	ZINC000000032541	c2ccc1[nH]ccc1c2
O=C2Cc1ccccc1CC(=O)N2	ZINC000000177750	O=C2Cc1ccccc1CC(=O)N2
CCCN(CCC)CCc1cccc2NC(=O)Cc12	ZINC000000002041	O=C2Cc1ccccc1N2
Fc4ccc(C(=O)C3CCN(CCCn1c(=O)[nH]c2cc(Cl)ccc12)CC3)cc4	ZINC000000538006	O=C(C3CCN(CCCn1c(=O)[nH]c2ccccc12)CC3)c4ccccc4
CN3C(=O)CC2(CCN(CCCC(=O)c1ccc(F)cc1)CC2)C3=O	ZINC000000002045	O=C3CC2(CCN(CCCC(=O)c1ccccc1)CC2)C(=O)N3
CC(C)N[C@@H](C)C(=O)c1ccc(O)c(O)c1	ZINC000000000608	c1ccccc1
Cc3nc2sc1CCCCc1c2c(=O)o3	ZINC000000040339	O=c2ocnc3sc1CCCCc1c23
CCN1C[C@H]2C[N@@](C)C[C@@H](C1)C2OC(=O)c3ccc(Cl)cc3	ZINC000000001034	O=C(OC1C2CNCC1CNC2)c3ccccc3
CC3(C)Oc1ccc(C#N)cc1C(n2ccccc2=O)=C3	ZINC000000001030	O=c1ccccn1C2=CCOc3ccccc23
CN2CCN(c1ncc(C#N)c(N)n1)CC2	ZINC000000159647	C2CN(c1ncccn1)CCN2
COc2ccc1c(CC[N+]1(C)C)c2	ZINC000000021691	C2Cc1ccccc1N2
NC[C@H]1C[C@@H]1CON	ZINC000000019197	C1CC1
CC2(C)CC(NC(=O)c1ccco1)CC(C)(C)N2	ZINC000000054270	O=C(NC1CCNCC1)c2ccco2
NO[C@H]1CCC[C@@H](N)C1	ZINC000000019193	C1CCCCC1
Cn3c(=O)n(C)c2ncn(CC(=N)N1CCCCC1)c2c3=O	ZINC000000054272	N=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)N3CCCCC3
NOC1CCC(N)CC1	ZINC000000019191	C1CCCCC1
Nc1nccn1CCc2cncnc2	ZINC000000027333	C(Cn1ccnc1)c2cncnc2
Cc3cc(N1CCOCC1)c2c(N)c(C)cc(C)c2n3	ZINC000000183367	C3CN(c1ccnc2ccccc12)CCO3
CC(C)Cn1cc(C)c(=O)[nH]c1=O	ZINC000000052447	O=c1cc[nH]c(=O)[nH]1
COc2ccc(C(=O)CCN1CCCCC1)cc2	ZINC000000128630	O=C(CCN1CCCCC1)c2ccccc2
CCc1nc(C)ccc1O	ZINC000000036605	c1ccncc1
C[N@]1CCc3c(C1)c2ccccc2n3C	ZINC000000036609	C3Cc2[nH]c1ccccc1c2CN3
NC(=O)c1ccc(Cl)c(N(=O)=O)c1	ZINC000000036608	c1ccccc1
C3CN=C(CC2=Cc1ccccc1CC2)N3	ZINC000000001780	C3CN=C(CC2=Cc1ccccc1CC2)N3
COC(=O)CC[N@]2CCCC1(CCCC1)C2	ZINC000000041106	C1CCC2(C1)CCCNC2
Cc2ncc(C[n+]1ccccc1)c(CO)c2O	ZINC000000159258	C(c1cccnc1)[n+]2ccccc2
CC(=O)N1N=C(N)SC1(C)C	ZINC000000243529	C1NN=CS1
c2ccn(c1cccnc1)c2	ZINC000000159254	c2ccn(c1cccnc1)c2
Cc2nc1scn[n+]1c(C)c2C	ZINC000000496266	c2cnc1scn[n+]1c2
O=C(CNC1CCCCC1)n3c2ccccc2ccc4ccccc34	ZINC000000184329	O=C(CNC1CCCCC1)n3c2ccccc2ccc4ccccc34
C4CCN(c3nc(N1CCCC1)nc(N2CCNCC2)n3)C4	ZINC000000305598	C4CCN(c3nc(N1CCCC1)nc(N2CCNCC2)n3)C4
C[C@@H](N)C(=O)Nc1c(C)cccc1C	ZINC000000000786	c1ccccc1
CCc3ccc(NC2=NC(=O)C[C@@H](C(=O)c1ccccc1)N2)cc3	ZINC000000528409	O=C3CC(C(=O)c1ccccc1)NC(Nc2ccccc2)=N3
Nc1cccnc1Br	ZINC000000330809	c1ccncc1
CN(C)C(=O)N1CCNCC1	ZINC000000106329	C1CNCCN1
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)Nc2ccc(F)cc2	ZINC000000067474	S=C(NCc1ccccc1)Nc2ccccc2
CC(C)(C)N1C[C@H](CO)OC1=O	ZINC000000136382	O=C1NCCO1
COc3ccc2ccc1cnn(C[C@@H](C)N)c1c2c3	ZINC000000020873	c1ccc3c(c1)ccc2cn[nH]c23
CN(Cc1ccccc1)C(=O)c3ccc2OCOc2c3	ZINC000000030208	O=C(NCc1ccccc1)c3ccc2OCOc2c3
O=CN5CCC(C(=O)NCCN4CCC(=c2c1ccccc1ccc3ccccc23)CC4)CC5	ZINC000000600657	O=C(NCCN4CCC(=c2c1ccccc1ccc3ccccc23)CC4)C5CCNCC5
O[C@H]3CCCN(C[C@H]2NC(=O)[C@@H](C[N@@]1CCC[C@H](O)C1)NC2=O)C3	ZINC000005385087	O=C2NC(CN1CCCCC1)C(=O)NC2CN3CCCCC3
COc3c(C)cnc(C[S@@](=O)c2nc1ccccc1[nH]2)c3C	ZINC000000000561	O=S(Cc1ccccn1)c3nc2ccccc2[nH]3
CN1CCCCC/C1=N\CCn2cnc3n(C)c(=O)n(C)c(=O)c23	ZINC000000090157	O=c3[nH]c(=O)c2n(CCN=C1CCCCCN1)cnc2[nH]3
CCOc2ccc(NC(=O)c1c(Cl)ccc(Cl)c1OC)cc2	ZINC000000094868	O=C(Nc1ccccc1)c2ccccc2
CN[C@@H](C)[C@@H](O)c1ccccc1	ZINC000000020259	c1ccccc1
O[C@@H](COc1ccccc1C[N@]2CCNC(=O)CC2)CN3CCSCC3	ZINC000012052835	O=C3CCN(Cc1ccccc1OCCCN2CCSCC2)CCN3
C[C@@H]3CC[C@@H](N2CCN(c1ncccn1)CC2)C3	ZINC000000213776	C3CCC(N2CCN(c1ncccn1)CC2)C3
OCCN4CCN([C@@H]1CC[C@@H]2CC[C@H]1c3ccccc23)CC4	ZINC000000015038	C4CN(C1CCC2CCC1c3ccccc23)CCN4
Cc2cc(C)[n+](Cc1ccccc1)cc2C(N)=O	ZINC000000331463	C(c1ccccc1)[n+]2ccccc2
C2CCc1nccnc1C2	ZINC000000156991	C2CCc1nccnc1C2
NS(=O)(=O)c3cc([C@]2(O)NC(=O)c1ccccc12)ccc3Cl	ZINC000000020253	O=C2NC(c1ccccc1)c3ccccc23
CC(C)c1c(C)[nH][nH]c1=O	ZINC000000246327	O=c1cc[nH][nH]1
Fc1ccc(C#N)cc1F	ZINC000000156995	c1ccccc1
NC(=S)N/N=C/c1ccc(Cl)c(N(=O)=O)c1	ZINC000000046216	c1ccccc1
CC(=O)Nc2ccc1n(C)cc[n+]1c2	ZINC000000387367	c2cc[n+]1cc[nH]c1c2
COc1cc(OC)c(C[N+](=O)C(C)(C)C)c(OC)c1	ZINC000000006331	c1ccccc1
C[C@H](N3C(=S)N[C@@H](Cc1c[nH]c2ccccc12)C3=O)c4ccccc4	ZINC000000386500	O=C3C(Cc1c[nH]c2ccccc12)NC(=S)N3Cc4ccccc4
CC2=C(NC(=S)NC(=O)c1ccccc1)NCc3ccccc23	ZINC000000031959	O=C(NC(=S)NC2=Cc1ccccc1CN2)c3ccccc3
C[C@@H]1CCCC[N@]1CCNC(=O)c3ccc2SCC(=O)Nc2c3	ZINC000000217641	O=C3CSc2ccc(C(=O)NCCN1CCCCC1)cc2N3
CCOC(=O)CCc3ccc2O[C@@H](c1ccc(N(C)C)cc1)Nc2c3	ZINC000000094519	N2C(c1ccccc1)Oc3ccccc23
COc2ccc(CC(=O)n1[nH]c(=O)ccc1=O)cc2OC	ZINC000000031953	O=C(Cc1ccccc1)n2[nH]c(=O)ccc2=O
Fc2ccc1cc[nH]c1c2	ZINC000000163312	c2ccc1[nH]ccc1c2
NNc1ccc(Br)cc1F	ZINC000000088605	c1ccccc1
C[N+]1(CCS)CCCCC1	ZINC000000282347	C1CCNCC1
CN(C)CCOC(=O)[C@@]2(C#N)CC3c1ccccc1C2c4ccccc34	ZINC000000052332	C2CC3c1ccccc1C2c4ccccc34
COc1ccccc1N(CC(=O)Nc2ccccc2)S(C)(=O)=O	ZINC000000080473	O=C(CNc1ccccc1)Nc2ccccc2
NC(=O)[C@@H]2CCC[N@@](Cc1ccc(F)cc1)C2	ZINC000000278813	C2CCN(Cc1ccccc1)CC2
CC(C)(CO)NC(=O)CSc1ccc(C(F)(F)F)cc1Cl	ZINC000000034383	c1ccccc1
NC(=N)c2ccc(c1ccccc1N(=O)=O)o2	ZINC000000001818	c2ccc(c1ccco1)cc2
Nc2nc(N1CCCCC1)c(F)c(N)n2=O	ZINC000000016415	O=n2ccc(N1CCCCC1)nc2
NC(=S)N=NCc1cccc(N(=O)=O)c1	ZINC000000028071	c1ccccc1
CCc3ccc(NC(=O)Cn1c(SC)nc2ccccc12)cc3	ZINC000000060903	O=C(Cn1cnc2ccccc12)Nc3ccccc3
C[N+](C)(C)C[C@@H](O)COc1ccc(Cl)cc1Cl	ZINC000000236833	c1ccccc1
Nc3ccc2c(=O)c1ccccc1c2c3	ZINC000000119800	O=c2c1ccccc1c3ccccc23
Oc3ccc(CN2CCC(N1CCCCC1)CC2)cc3	ZINC000000212697	C3CCN(C2CCN(Cc1ccccc1)CC2)CC3
OC14CC3C[C@@H](C1)C2(NCCS2)[C@H](C3)C4	ZINC000000225126	C1CSC3(N1)C2CC4CC(C2)CC3C4
CC(C)(C)c1cc(=O)[nH][nH]1	ZINC000000152999	O=c1cc[nH][nH]1
CCc3nnc(NC1=NS(=O)(=O)c2ccccc12)s3	ZINC000000032605	O=S3(=O)N=C(Nc1nncs1)c2ccccc23
NC(=O)c1ccc(Cl)cc1	ZINC000000152995	c1ccccc1
NC(=O)c1ccccc1	ZINC000000152996	c1ccccc1
COc3ccc(CC[C@@H]1NCCn2cccc12)cc3OC	ZINC000000214200	C3Cn1cccc1C(CCc2ccccc2)N3
CNC[C@@H](O)c1ccc(O)c(O)c1	ZINC000000039090	c1ccccc1
CN(C)CCNC(=O)N2CCN(c1ccccc1Cl)CC2	ZINC000000024590	C2CN(c1ccccc1)CCN2
CN2CCN(C(=O)c1cccc(C)c1)CC2	ZINC000000401862	O=C(N1CCNCC1)c2ccccc2
CN(C)[C@@H](CO)[C@@H](O)c1ccc(N)cc1	ZINC000000525465	c1ccccc1
COc3cc2C[N@](C)CC1(CCOCC1)c2cc3OC	ZINC000000343465	C1CC3(CCO1)CNCc2ccccc23
CS(=O)(=O)N3CCN(C(=O)COc2ccc1ccccc1c2)CC3	ZINC000000285281	O=C(COc2ccc1ccccc1c2)N3CCNCC3
COC(=O)C2CCN(S(=O)(=O)c1ccc(C)cc1)CC2	ZINC000000049271	O=S(=O)(N1CCCCC1)c2ccccc2
COc2cccc(C(=O)OC1CCN(C)CC1)c2OC	ZINC000000362696	O=C(OC1CCNCC1)c2ccccc2
CCCC(=O)Nc2ccc(Oc1cccc(F)c1)cc2	ZINC000000024155	O(c1ccccc1)c2ccccc2
COc1cc(CC(=S)C(O)=O)ccc1O	ZINC000000047620	c1ccccc1
CCC(CC)(CC=C)C(N)=O	ZINC000000002236	nonring
CC1(C)N[C@@H](C(O)=O)CS1	ZINC000000039540	C1CSCN1
Cc1ccc(CN)n1C	ZINC000000165949	c1cc[nH]c1
Cc1ccsc1CN	ZINC000000165948	c1ccsc1
CCOC(=O)c2ccc(n1ncc(N(CC)CC)c(Cl)c1=O)cc2	ZINC000000165945	O=c1cccnn1c2ccccc2
CCN(CC)CCN2C(=O)[C@@H]1CNC[C@]1(C)NC(=O)c3ccccc23	ZINC000012274903	O=C3Nc1ccccc1C(=O)NC2CNCC23
COc3cc2CC[N@](C[C@@H](O)COc1ccccc1)Cc2cc3OC	ZINC000000518456	C(COc1ccccc1)CN3CCc2ccccc2C3
CCN2C=C(C(=O)OC)C(c1ccccc1Cl)C(C(=O)OC)=C2	ZINC000000036516	N2C=CC(c1ccccc1)C=C2
CC(=O)Nc1cc(O)ccc1O	ZINC000000014819	c1ccccc1
CC(=S)NN=c2[nH]c1ccccc1[nH]2	ZINC000000097072	N=c2[nH]c1ccccc1[nH]2
CC(C)N(C(C)C)C(=O)c2ccc(C(=O)NCc1ccccc1)cc2	ZINC000000064103	O=C(NCc1ccccc1)c2ccccc2
C[C@@H]1C[N+](C)(C)CC[C@@H]1O	ZINC000000160270	C1CCNCC1
CCc3cnc4c(=O)[nH]c2cc(N(=O)=O)c(n1ccnc1)cc2n34	ZINC000000017106	O=c3[nH]c2ccc(n1ccnc1)cc2n4ccnc34
COCc1cc(C)[nH]c(=S)c1C#N	ZINC000000050203	S=c1cccc[nH]1
COc1ccccc1C(=O)Nc2sc(C)c(C)c2C#N	ZINC000000061429	O=C(Nc1cccs1)c2ccccc2
CCOc2ccc(/C=C/C(=O)Oc1c(C)cccc1C)cc2OC	ZINC000000120529	O=C(Oc1ccccc1)C=Cc2ccccc2
COc2ccc([C@@H](C(=O)OCCN(C)C)c1ccccc1)cc2	ZINC000000454621	C(c1ccccc1)c2ccccc2
CCc1nc(N)nc(N)c1c2ccc(Cl)cc2	ZINC000000057464	c2ccc(c1cncnc1)cc2
CN(C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl	ZINC000000303733	c1ccccc1
Cc2cc(C)[n+]1NCCc1n2	ZINC000000390270	C2Cc1nccc[n+]1N2
CC[n+]1ccnc(C#N)c1	ZINC000000331922	c1cnccn1
C[n+]1ccccc1C(N)=O	ZINC000000331924	c1ccncc1
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c2cccc3ccccc23	ZINC000000069449	O=C3NC=CC(c1cccc2ccccc12)N3
CCN3CCN(c2ccc(/N=C/c1ccc(O)cc1O)cc2)CC3	ZINC000000353118	C3CN(c2ccc(N=Cc1ccccc1)cc2)CCN3
Cc3nc2nc(S(=O)(=O)N1CCOCC1)nn2c(C)c3C	ZINC000000033739	O=S(=O)(N1CCOCC1)c3nc2ncccn2n3
C[N+](=O)Cc1cccs1	ZINC000000337382	c1ccsc1
CC1(C)CC2(CC(C)(C)N1)OC(=O)OC2=C	ZINC000000053017	C=C1OC(=O)OC12CCNCC2
CN(C)C(=O)C#CBr	ZINC000000019853	nonring
COc1ccccc1n2c(=O)ccc2=O	ZINC000000053012	O=c1ccc(=O)n1c2ccccc2
C[C@@H](O)CNCc2ccc1OCOc1c2	ZINC000000570842	C2Oc1ccccc1O2
O=C2CC[C@@H](N(=O)=O)[C@@H](c1cccs1)N2	ZINC000000088844	O=C2CCCC(c1cccs1)N2
Clc2cccc3c(S(=O)(=O)N1CCCNCC1)cccc23	ZINC000000402771	O=S(=O)(N1CCCNCC1)c2cccc3ccccc23
CCc1nc(C)cc(N)c1O	ZINC000000281709	c1ccncc1
COc1cc(C=O)ccc1OC(=O)c2ccc(Cl)cc2Cl	ZINC000000058596	O=C(Oc1ccccc1)c2ccccc2
S=c2oc1ccccc1n2CNc3ccccn3	ZINC000000058591	S=c2oc1ccccc1n2CNc3ccccn3
CN(C)CC/C=C2/c1ccccc1CS(=O)(=O)c3ccccc23	ZINC000000346582	C=C2c1ccccc1CS(=O)(=O)c3ccccc23
CC(C)CCn1c(S[C@H](C)C(C)=O)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000079545	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NC(=S)Nc1ccccc1C#N	ZINC000000166314	c1ccccc1
Cc4cc3cc(CCn2c(=O)c1ccccc1c2=O)c(=O)[nH]c3cc4C	ZINC000000250174	O=c2[nH]c1ccccc1cc2CCn4c(=O)c3ccccc3c4=O
CN[C@@H]2CCCN(C(=O)[C@H]1CN(C)C(=O)N1)C2	ZINC000662406780	O=C2NCC(C(=O)N1CCCCC1)N2
CN4CCC(N=Nc2ncnc3sc1CCCCc1c23)CC4	ZINC000000351385	C1CCc3c(C1)sc4ncnc(N=NC2CCNCC2)c34
O[C@@H](COC[C@H]2COc1ccccc1O2)CN3CCCCC3	ZINC000000351432	C3CCN(CCCOCC2COc1ccccc1O2)CC3
COC(=O)c/1c(C)n(CC=C)c(=O)c\1=C/c2ccc(O)c(OC)c2	ZINC000000112603	O=c1[nH]ccc1=Cc2ccccc2
COc4cccc(C1Nc2cccc3cccc(N1)c23)c4OC	ZINC000000028674	N2C(c1ccccc1)Nc3cccc4cccc2c34
Cc1ccc(NC(N)=O)cc1	ZINC000000160899	c1ccccc1
CC(C)c1ccccc1NN	ZINC000000088598	c1ccccc1
OCCn2c(c1ccc(F)cc1)cs\c2=N/c3cccc(Cl)c3	ZINC000000074242	N(c1ccccc1)=c3[nH]c(c2ccccc2)cs3
CCOc3ccc(C(=O)[C@H](CN1CCCC1)c2ccccc2)cc3	ZINC000000063370	O=C(C(CN1CCCC1)c2ccccc2)c3ccccc3
CN[C@@]13CCCC[C@H]1Sc2ccccc23	ZINC000000004278	C1CCC2C(C1)Sc3ccccc23
CC(=O)NCc1c(F)cccc1Cl	ZINC000000138968	c1ccccc1
O=C2C[C@H](Sc1ccccc1)[C@@H]3CO[C@H]2O3	ZINC000000051150	O=C2CC(Sc1ccccc1)C3COC2O3
CNc1oncc1C2=CCC[N@@](C)C2	ZINC000000021868	C2CC=C(c1cnoc1)CN2
CC3(NC2=NS(=O)(=O)c1sc(Cl)cc1N2)CC3	ZINC000000008767	O=S3(=O)N=C(NC1CC1)Nc2ccsc23
S=C(Cc1cccnc1)N2CCOCC2	ZINC000000075641	S=C(Cc1cccnc1)N2CCOCC2
CCOC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12	ZINC000000008765	c2ccc1cnccc1c2
NC(=O)c1cnc3n1CCc2ccccc2C34CCNCC4	ZINC000000008768	C1CC4(CCN1)c2ccccc2CCn3ccnc34
CN(C)[C@H]3CCc2[nH]c1ccccc1c2C3	ZINC000000000192	C1CCc2c(C1)[nH]c3ccccc23
CC(=O)c1c(O)nc2ccccn12	ZINC000000064810	c2ccn1ccnc1c2
NNc2nc(N)nc(C1CC1)n2	ZINC000000163124	C1CC1c2ncncn2
N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O	ZINC000000001575	c1ccccc1
CNc3nc(c1ccccc1)[n+](c2ccccc2)s3	ZINC000000041847	c3ccc(c1ncs[n+]1c2ccccc2)cc3
CN(C)CCCn2c1CCCCCCc1c3ccccc23	ZINC000000001576	C1CCCc2c(CC1)[nH]c3ccccc23
Cn2n[n+](Cc1ccc(N(=O)=O)cc1)c3ccccc23	ZINC000000362847	C(c1ccccc1)[n+]2n[nH]c3ccccc23
COC(=O)c2ccc(NS(=O)(=O)c1ccc(F)cc1)cc2	ZINC000000029671	O=S(=O)(Nc1ccccc1)c2ccccc2
Brc1ccccc1CN3CCC(Cc2ccccc2)CC3	ZINC000000291956	C2CN(Cc1ccccc1)CCC2Cc3ccccc3
COc2cc4CC[N+](C)(C)[C@H]3CC1(C=CC(=O)C=C1)c(c2OC)c34	ZINC000000296272	O=C4C=CC1(CC2NCCc3cccc1c23)C=C4
CSc2ccc(N1C(=N)NC(=N)NC1(C)C)cc2	ZINC000001842834	N=C2NCN(c1ccccc1)C(=N)N2
Nn1cc(C(F)(F)F)ccc1=[N+]2CCNCC2	ZINC000000157900	C2C[N+](=c1cccc[nH]1)CCN2
Cc1cc(NN)nc(C)n1	ZINC000000157903	c1cncnc1
Cc2cccc(OCC(=O)Nc1sc(C)c(C)c1C(N)=O)c2	ZINC000000038434	O=C(COc1ccccc1)Nc2cccs2
CN1CCC2(CC1)OC(=O)NC2=O	ZINC000000011055	O=C2NC(=O)C1(CCNCC1)O2
NCc1ccccn1	ZINC000000011050	c1ccncc1
CN3CCN(C(=O)c2ccc(CNS(=O)(=O)c1cccc(Cl)c1)cc2)CC3	ZINC000000630924	O=C(N1CCNCC1)c3ccc(CNS(=O)(=O)c2ccccc2)cc3
COc3cc(CNCc1ccc(OC)c2ccccc12)cc(OC)c3	ZINC000000172243	C(NCc1cccc2ccccc12)c3ccccc3
COc2ccc(CNCc1cc(F)ccc1F)cc2OC	ZINC000000172240	C(NCc1ccccc1)c2ccccc2
C[N@]1[C@H]3CC[C@@H]1C=C(c2cccnc2)C3	ZINC000000007501	C1CC3NC1CC(c2cccnc2)=C3
C/C=C/c2n(C)c1ccccc1[n+]2C	ZINC000000040719	c2ccc1[nH]cnc1c2
N=C3N[C@H](c1ccccc1)N(c2ccccc2)C(=N)N3	ZINC000000063592	N=C3NC(c1ccccc1)N(c2ccccc2)C(=N)N3
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CC(C)(C)C)c1	ZINC000000030410	c1ccccc1
COc1cc(SC)ccc1C(=O)N3CCN(c2ccccc2)CC3	ZINC000000030416	O=C(N2CCN(c1ccccc1)CC2)c3ccccc3
CC1(C)CN(S(N)(=O)=O)CCN1	ZINC000167477856	C1CNCCN1
Cc1cc(C)c(S(C)(=O)=O)cc1N	ZINC000000154103	c1ccccc1
Fc2ccc1SCCC(=O)c1c2	ZINC000000111008	O=C1CCSc2ccccc12
O=C(N1CCCCC1)c2cccs2	ZINC000000043193	O=C(N1CCCCC1)c2cccs2
C[N@]1[C@H]3CC[C@@H]1CC(=NOC(=O)C2CCCCC2)C3	ZINC000000135873	O=C(ON=C1CC2CCC(C1)N2)C3CCCCC3
NC(=N)N1CCSCC1	ZINC000000152859	C1CSCCN1
CC3(C)CCCN(c1ncnc2[nH]ccc12)C3	ZINC000000024367	C3CCN(c1ncnc2[nH]ccc12)CC3
Fc2ccc(NC(=O)c1ccccc1)cc2	ZINC000000029209	O=C(Nc1ccccc1)c2ccccc2
CC[N+]1(CC#N)CCOCC1	ZINC000000301481	C1COCCN1
Cc1cc(N)cc(Cl)c1O	ZINC000000152857	c1ccccc1
O=S(=O)(N[C@@H]1CCCC[C@@H]1NCc2ccco2)c3ccccc3	ZINC000000317243	O=S(=O)(NC1CCCCC1NCc2ccco2)c3ccccc3
COC(=O)c2ccc(OC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1)cc2	ZINC000000466469	C2CCN(CCCOc1ccccc1)CC2
CC(=O)Nc2ccc(N1CCOCC1)cc2	ZINC000000080597	C2CN(c1ccccc1)CCO2
COc2ccc(NC(=O)[C@H](C)SCc1ccccc1)cc2OC	ZINC000000039394	O=C(CSCc1ccccc1)Nc2ccccc2
CN(N1CC(C)(C)C1=O)c3cnn(c2ccc(C)cc2)c(=O)c3Cl	ZINC000000132062	O=C1CCN1Nc3cnn(c2ccccc2)c(=O)c3
Cn3cc(c2c(c1ccccc1Cl)c(=O)[nH]c2=O)c4ccccc34	ZINC000000010906	O=c3[nH]c(=O)c(c1c[nH]c2ccccc12)c3c4ccccc4
NC(=N)NC[C@@H](O)CN1CCCc2ccccc12	ZINC000000309678	C2CNc1ccccc1C2
O[C@@H](COc1cccc2ccccc12)C[N+]3(CC=C)CCOCC3	ZINC000000309672	C(COc1cccc2ccccc12)CN3CCOCC3
Cc2cc(C)c([n+]1cccc(C(N)=O)c1)c(C)c2	ZINC000000331464	c2ccc([n+]1ccccc1)cc2
C2CS[C@H](c1ccco1)N2	ZINC000000063907	C2CSC(c1ccco1)N2
Cc2ccc(OC[C@@H](O)CNCc1ccccc1)cc2C	ZINC000000066422	C(CNCc1ccccc1)COc2ccccc2
NC[C@@H](O)c1ccc(N(=O)=O)cc1	ZINC000000374248	c1ccccc1
S=c3n(CN1CCCCC1)nc(c2ccco2)n3c4ccccc4	ZINC000000066429	S=c3n(CN1CCCCC1)nc(c2ccco2)n3c4ccccc4
CN(C)CCc1ccc(O)cc1	ZINC000000160784	c1ccccc1
Oc2ccc(O)c(CN1CCCCCC1)c2	ZINC000000127433	C2CCCN(Cc1ccccc1)CC2
CC2SC(Cc1ccc(Cl)cc1)=NC2=O	ZINC000000031541	O=C2CSC(Cc1ccccc1)=N2
Cc2ccc(CNC1=NCCS1)cc2	ZINC000000104585	C2CN=C(NCc1ccccc1)S2
c4ccc(c1n[nH]cc1c3ccc2ncccc2n3)nc4	ZINC000000003553	c4ccc(c1n[nH]cc1c3ccc2ncccc2n3)nc4
O=C(N[C@@H]2CCc1ccccc1C2)c3ccc(C#N)nc3	ZINC000000003558	O=C(NC2CCc1ccccc1C2)c3cccnc3
CCn3c1ccccc1c4cc(\C=N\c2cccc(C(N)=O)c2)ccc34	ZINC000000046006	C(=Nc1ccccc1)c4ccc3[nH]c2ccccc2c3c4
O/N=C1\CCC[C@@H]2[C@@H]1CCCC2=O	ZINC000000136527	N=C1CCCC2C1CCCC2=O
CCOC(=O)N3CCC(NCCc1c[nH]c2ccccc12)CC3	ZINC000000221604	C3CC(NCCc1c[nH]c2ccccc12)CCN3
O[C@@H](COCc1ccccc1)CN3CCN(c2ccccn2)CC3	ZINC000000234864	C(COCc1ccccc1)CN3CCN(c2ccccn2)CC3
COc2ccc(CC(=O)O[C@@H]1CCC[N@@](C)C1)cc2	ZINC000000250411	O=C(Cc1ccccc1)OC2CCCNC2
Clc2ccc(S(=O)(=O)N1CCOCC1)cc2C#N	ZINC000000035044	O=S(=O)(N1CCOCC1)c2ccccc2
O=c4[nH]c2CC[N@](Cc1ccccc1)Cc2c5nc(c3ccccn3)nn45	ZINC000000575824	O=c4[nH]c2CCN(Cc1ccccc1)Cc2c5nc(c3ccccn3)nn45
Cc3ccc(C)c(OCC(=O)Nc2ccc(Oc1ccccc1)cc2)c3	ZINC000000045926	O=C(COc1ccccc1)Nc3ccc(Oc2ccccc2)cc3
C[N+](C)(C)Cn1c(=O)sc2ccccc12	ZINC000000405753	O=c2[nH]c1ccccc1s2
C3CCN(Cc1c[nH]c2ccccc12)CC3	ZINC000000050819	C3CCN(Cc1c[nH]c2ccccc12)CC3
CNC(=O)c1c(C)csc1NC(=O)C(F)(F)F	ZINC000000080627	c1ccsc1
Cc3ccc2n(C)c1C(=O)CCCc1c2c3	ZINC000000050814	O=C1CCCc2c1[nH]c3ccccc23
C(Oc1ccccc1)c3nc2ccccc2[nH]3	ZINC000000031304	C(Oc1ccccc1)c3nc2ccccc2[nH]3
O=N(=O)c3cccc(c2csc1CCC[n+]12)c3	ZINC000000161787	C3Cc2scc(c1ccccc1)[n+]2C3
OCN1CCCCCC1=O	ZINC000000084902	O=C1CCCCCN1
C[C@@H](CN1CCCCC1)OC(=O)[C@@H]3COc2ccccc2O3	ZINC000000316374	O=C(OCCN1CCCCC1)C3COc2ccccc2O3
NC(=N)NC(=N)Nc1ccccc1S	ZINC000000164150	c1ccccc1
O=c2c(=CNCC1CCNCC1)c(=O)c3ccccc23	ZINC000000246940	O=c2c(=CNCC1CCNCC1)c(=O)c3ccccc23
Cc2cc(C)c1c(N)nn(C)c1n2	ZINC000000075003	c2cnc1[nH]ncc1c2
Cc2cccc(NC1=NC(C)(C)NC(=N)N1)c2	ZINC000000269202	N=C2NCN=C(Nc1ccccc1)N2
NCc2cc(c1ccccc1)no2	ZINC000000169750	c2ccc(c1ccon1)cc2
CCN(CC)S(=O)(=O)c2cccc(C(=O)NCc1ccccc1)c2	ZINC000000192897	O=C(NCc1ccccc1)c2ccccc2
C[C@H](c2cccc(C(=O)c1ccccc1)c2)c3nc(N(C)C)no3	ZINC000000002932	O=C(c1ccccc1)c3cccc(Cc2ncno2)c3
CC(=O)N3CCN(c1ccnc2cc(Cl)ccc12)CC3	ZINC000000171631	C3CN(c1ccnc2ccccc12)CCN3
CCN(CC)CCN2C(=O)CCCc3sc1CCCCc1c23	ZINC000000192096	O=C3CCCc2sc1CCCCc1c2N3
C[N@@](CCCn1ccnc1)CCOc2ccc(Cl)cc2	ZINC000000019463	C(CNCCOc1ccccc1)Cn2ccnc2
Brc4cc(C(=O)N[C@@H]1CN2CCC1CC2)c3[nH]cnc3c4	ZINC000000385643	O=C(NC1CN2CCC1CC2)c3cccc4nc[nH]c34
CC(=O)Oc2cccc(C(=O)Nc1ccc(Br)cc1C)c2	ZINC000000052551	O=C(Nc1ccccc1)c2ccccc2
Fc1c(Cl)cccc1C[n+]2ccccc2	ZINC000000159627	C(c1ccccc1)[n+]2ccccc2
Cc1cc(C)c(S(=O)(=O)N(CC#N)CC#N)c(C)c1	ZINC000000029449	c1ccccc1
CCN2CCC(N1CCOCC1)CC2	ZINC000000280483	C2CC(N1CCOCC1)CCN2
CC[N@]3CCC[C@@H](OC(=O)C(O)(c1ccccc1)c2ccccc2)C3	ZINC000000390428	O=C(OC1CCCNC1)C(c2ccccc2)c3ccccc3
COc1ccccc1C2=CN3CCC2CC3	ZINC000000013755	C1CN3CCC1C(c2ccccc2)=C3
C[C@@H](NC(=O)CSc1nc(N)cc(N)n1)c2ccccc2	ZINC000000377122	O=C(CSc1ncccn1)NCc2ccccc2
OCn2cnc1ccccc1c2=O	ZINC000000151361	O=c1[nH]cnc2ccccc12
C[N+]2(C)CCc1ccc(Cl)cc12	ZINC000000021671	C2Cc1ccccc1N2
C[N+]2(C)CCc1cc(Br)ccc12	ZINC000000021672	C2Cc1ccccc1N2
C[C@H](c1cccnc1)[C@@](O)(Cn2cncn2)c3ccc(F)cc3F	ZINC000000011646	C(C(Cn1cncn1)c2ccccc2)c3cccnc3
O[C@@H]2CC[N@@](Cc1ccc(Cl)cc1Cl)C2	ZINC000000217518	C2CCN(Cc1ccccc1)C2
Cc1ccccc1c2cn[nH]n2	ZINC000000027316	c2ccc(c1cn[nH]n1)cc2
C[N@]3CC[C@](O)(c1ccccc1)[C@@H]2CCC[C@@H]23	ZINC000000200918	C3CC2NCCC(c1ccccc1)C2C3
Clc6ccc5CCc1ccccc1N(CCCN2CCC4(CC2)N3CCCC[C@@H]3NC4=O)c5c6	ZINC000000597691	O=C2NC1CCCCN1C26CCN(CCCN4c3ccccc3CCc5ccccc45)CC6
CC[C@H](C)C(=O)NC1CCCCCC1	ZINC000000030627	C1CCCCCC1
Clc2ccc(C(=O)C[C@H](C(C#N)C#N)c1ccccc1Cl)cc2	ZINC000000279040	O=C(CCc1ccccc1)c2ccccc2
O=C(OC[C@@H]1CCCO1)c2cccnc2	ZINC000000000765	O=C(OCC1CCCO1)c2cccnc2
Cc2c(NCc1ccccc1)[nH]c(=O)[nH]c2=O	ZINC000000227713	O=c2cc(NCc1ccccc1)[nH]c(=O)[nH]2
COC(=O)c2[nH]c1ccc(C)cc1c2NC(=O)C[N@]3CCCC[C@@H]3C	ZINC000000507499	O=C(CN1CCCCC1)Nc2c[nH]c3ccccc23
CSc1nc(C)c(C)c(C)c1C#N	ZINC000000050418	c1ccncc1
C[C@@H]1CCCC[N@]1CC(=O)N2CCC(C(N)=O)CC2	ZINC000000520614	O=C(CN1CCCCC1)N2CCCCC2
Oc1ccc(F)c(C(F)(F)F)c1	ZINC000000164785	c1ccccc1
CN(C)CCc2c[nH]c3ccc(c1ccc(C)s1)cc23	ZINC000000022997	c3csc(c2ccc1[nH]ccc1c2)c3
c3csc(c2cc1nccn1[nH]2)c3	ZINC000000004424	c3csc(c2cc1nccn1[nH]2)c3
FC(F)(F)c1ccccc1n2n[o+]c(=O)[nH]2	ZINC000000063121	O=c2[nH]n(c1ccccc1)n[o+]2
N[C@@H](c1ccccc1)c2ccccn2	ZINC000000133211	C(c1ccccc1)c2ccccn2
COc1ccccc1C(=O)N2CCN(C(C)C)CC2	ZINC000000300506	O=C(N1CCNCC1)c2ccccc2
O=C2CN([C@H]1CCNC1)CN2	ZINC000026898481	O=C2CN(C1CCNC1)CN2
Clc2ccc(OC(=O)c1ccccc1)cc2	ZINC000000037286	O=C(Oc1ccccc1)c2ccccc2
S=C(NC1CCCCC1)NN2CCOCC2	ZINC000000037285	S=C(NC1CCCCC1)NN2CCOCC2
CC(C)C[C@@H]1CNC[C@H]1C(O)=O	ZINC000000008681	C1CCNC1
CCN(CC)NC(=S)NC1CCCCC1	ZINC000000037280	C1CCCCC1
Cc2ccc(C(=O)NCc1ccco1)cc2	ZINC000000037530	O=C(NCc1ccco1)c2ccccc2
CCN(CC)C(=O)[C@@]2(c1ccccc1)C[C@H]2CN	ZINC000000000506	C1CC1c2ccccc2
C3CN=C(C[C@@H](c1ccccc1)c2ccccn2)N3	ZINC000000000505	C3CN=C(CC(c1ccccc1)c2ccccn2)N3
Fc1cccc(Cl)c1C#N	ZINC000000155197	c1ccccc1
Cn3cc(\C=c2\[nH]c(=O)n(Cc1ccccc1F)c2=O)c4ccccc34	ZINC000000202407	O=c3[nH]c(=Cc1c[nH]c2ccccc12)c(=O)n3Cc4ccccc4
CCc2ccc(O)c(/N=C/c1ccc(N(=O)=O)cc1)c2	ZINC000000050579	C(=Nc1ccccc1)c2ccccc2
Nc2nc(c1ccc(C=C)cc1)cs2	ZINC000000050575	c2ccc(c1cscn1)cc2
O/N=C/c1ccc(F)cc1	ZINC000000153662	c1ccccc1
FC(F)(F)c1ccccc1CN3CCC(N2CCCCC2)CC3	ZINC000000276866	C3CCN(C2CCN(Cc1ccccc1)CC2)CC3
CN2CCC(NCc1ccccc1F)CC2	ZINC000000276864	C2CC(NCc1ccccc1)CCN2
CCN(CC)CC(=O)Nc1c(C)cccc1C	ZINC000000020237	c1ccccc1
CCN(CC)C[C@@H](O)Cn2c1C(=O)CCCc1c3ccccc23	ZINC000000074835	O=C1CCCc2c1[nH]c3ccccc23
Nc2cc(Cl)c(NC1=NCCN1)c(Cl)c2	ZINC000000020231	C2CN=C(Nc1ccccc1)N2
CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1	ZINC000000020230	c1ccccc1
Cn1[nH]c(C(C)(C)C)cc1=O	ZINC000000092407	O=c1cc[nH][nH]1
COc3ccc2n(C)c(c1ccc(C=O)cc1)c[n+]2c3	ZINC000000337629	c3ccc(c2c[n+]1ccccc1[nH]2)cc3
CCOc1ccccc1NC(C)=O	ZINC000000030083	c1ccccc1
CC(=O)Nc2ccc(C(=O)Nn1cnnc1)cc2	ZINC000000030082	O=C(Nn1cnnc1)c2ccccc2
CC(=O)N(Cc1ccccc1)c2ccccn2	ZINC000000030085	C(Nc1ccccn1)c2ccccc2
C2CN(Cc1cccnc1)CCC2[N@]4CCc3ccccc3C4	ZINC000000316789	C2CN(Cc1cccnc1)CCC2N4CCc3ccccc3C4
Nc2cc(N)nc(SCc1ccccc1)n2	ZINC000000037758	C(Sc1ncccn1)c2ccccc2
O=C2CCc1ccccc1N2	ZINC000000164635	O=C2CCc1ccccc1N2
CN4CCC(c2n[nH]c3ccc(NC(=O)c1ccc(F)cc1)cc23)CC4	ZINC000000587656	O=C(Nc3ccc2[nH]nc(C1CCNCC1)c2c3)c4ccccc4
CCc1nc(C=O)c(C)[nH]1	ZINC000000164638	c1c[nH]cn1
COc2cc(N1CCNCC1)cc(OC)c2OC	ZINC000000155446	C2CN(c1ccccc1)CCN2
O=C(CCc1ccccc1)O[C@@H]2CN3CCC2CC3	ZINC000000203531	O=C(CCc1ccccc1)OC2CN3CCC2CC3
COc3ccc([C@H]2CC(c1cc(OC)cc(OC)c1)=NC(=N)N2)cc3	ZINC000000031979	N=C3NC(c1ccccc1)CC(c2ccccc2)=N3
Fc4ccc(C(=O)C3CCN(CCn2c(=O)[nH]c1ccccc1c2=O)CC3)cc4	ZINC000000537877	O=C(C3CCN(CCn2c(=O)[nH]c1ccccc1c2=O)CC3)c4ccccc4
COC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12	ZINC000000071208	c2ccc1occc1c2
Nc2nc1ccc(C#N)cc1[nH]2	ZINC000000378380	c2ccc1[nH]cnc1c2
CN3CCN(CC(=O)OC1C[C@@H]2CC[C@H](C1)[N@]2C)CC3	ZINC000022942616	O=C(CN1CCNCC1)OC2CC3CCC(C2)N3
CC(C)(C)N2[C@H]1NC(=O)N[C@H]1NC2=O	ZINC000000077258	O=C2NC1NC(=O)NC1N2
NC[C@@H](c1ccc[nH]1)C(F)(F)F	ZINC000000110298	c1cc[nH]c1
C[N+]2(CCOC(=O)c1ccc(O)cc1O)CCCCC2	ZINC000000492442	O=C(OCCN1CCCCC1)c2ccccc2
O[C@]3(Cc1ccccn1)C(=O)Nc2ccccc23	ZINC000000081505	O=C2Nc1ccccc1C2Cc3ccccn3
CCOC(=O)c1c(C)n(C)c2cc(CN(C)C)c(O)c(CN(C)C)c12	ZINC000000190254	c2ccc1[nH]ccc1c2
CCN2[C@@H]1NC(=O)N[C@H]1N(CC)C2=O	ZINC000000075874	O=C2NC1NC(=O)NC1N2
CN2C(COc1ccccc1C)N=NC2=S	ZINC000000052318	S=C2NC(COc1ccccc1)N=N2
C[C@H](N)C(O)(c1ccccc1)c2ccccc2	ZINC000000047273	C(c1ccccc1)c2ccccc2
COC(=O)Cn3cnc2sc(C)c(c1ccc(Cl)cc1)c2c3=O	ZINC000000149256	O=c2[nH]cnc3scc(c1ccccc1)c23
CC(C)c2ncc(S(=O)(=O)c1ccc(C(F)(F)F)cn1)c(N)n2	ZINC000000149255	O=S(=O)(c1cncnc1)c2ccccn2
Cc3ccc(S(=O)(=O)N2CCN(C(=O)CN1CCCC1)C2)cc3	ZINC000000048959	O=C(CN1CCCC1)N3CCN(S(=O)(=O)c2ccccc2)C3
C[C@@H]2N(O)C(C)(C)C(c1ccccc1)[N+]2=O	ZINC000000195015	O=[N+]1CNCC1c2ccccc2
CC(C)CC[N@@](C)C2CCN(S(=O)(=O)c1ccc(C)cc1)CC2	ZINC000000261601	O=S(=O)(N1CCCCC1)c2ccccc2
CC(=O)O[C@H]1C[C@H]2CCC[C@@H]1N2	ZINC000000012509	C1CC2CCC(C1)N2
CCSc1sc(CN(C)C)cc1\C=N\O	ZINC000000042380	c1ccsc1
C[N@]1CCC[C@@H]1CCSc2ccccn2	ZINC000000023860	C2CNC(CCSc1ccccn1)C2
CCC[C@@H](C)C(=O)Nc1cc(OC)ccc1OC	ZINC000000030881	c1ccccc1
COc1ccc(N(=O)=O)cc1NCc2cc(OC)c(OC)c(OC)c2	ZINC000000243101	C(Nc1ccccc1)c2ccccc2
CCN3CCC(N2CCN(c1cccc(Cl)c1)CC2)CC3	ZINC000000220390	C3CC(N2CCN(c1ccccc1)CC2)CCN3
CC(=O)N2CCC(NCC1CCCCC1)CC2	ZINC000000214229	C2CCC(CNC1CCNCC1)CC2
Clc4ccc(c3noc(CSC2=NC[C@@H]1CCC[C@@H]1N2)n3)cc4	ZINC000000137824	C4CC3CN=C(SCc2nc(c1ccccc1)no2)NC3C4
C[C@@H]1CCc3c(C1)sc(NC(=O)c2ccccc2C)c3C(N)=O	ZINC000000035672	O=C(Nc2cc1CCCCc1s2)c3ccccc3
FC(F)(F)c2cnc(n1cccc1)c(Cl)c2	ZINC000000032955	c2ccc(n1cccc1)nc2
C(c1ccccc1)c3nnc2ccncc2n3	ZINC000000002210	C(c1ccccc1)c3nnc2ccncc2n3
CN3CCN(c2ccc(NC(=O)c1nccnc1C(O)=O)cc2)CC3	ZINC000000146160	O=C(Nc2ccc(N1CCNCC1)cc2)c3cnccn3
Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1	ZINC000000002214	c1ccccc1
CN3CCN(C(=O)c2ccc(c1ccc(Br)cc1)o2)CC3	ZINC000000101734	O=C(N1CCNCC1)c3ccc(c2ccccc2)o3
CC2(C)C(=O)Nc1ccccc12	ZINC000000087221	O=C2Cc1ccccc1N2
CC1C(=C)C(=O)C(C)C(=C)C1=O	ZINC000000087597	C=C1CC(=O)C(=C)CC1=O
COc3nc(NC1CC1)nc(Nc2ccc(OC(F)(F)F)cc2)n3	ZINC000000034505	C1CC1Nc3ncnc(Nc2ccccc2)n3
CC[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000000031759	C1CCNCC1
COc1ccc(Br)cc1\C=c3\sc2ccccc2c3=O	ZINC000000208116	O=c2c(=Cc1ccccc1)sc3ccccc23
Cc1cccc(C)c1NS(=O)(=O)c3ccc([C@@H]2CNC(=O)C2)cc3	ZINC000000116833	O=C3CC(c2ccc(S(=O)(=O)Nc1ccccc1)cc2)CN3
COc2ccc(CNC[C@@H](O)COc1ccc(C)cc1N(=O)=O)cc2	ZINC000000119359	C(CNCc1ccccc1)COc2ccccc2
c3cc(c1c[nH]cn1)c2ccsc2c3	ZINC000000024131	c3cc(c1c[nH]cn1)c2ccsc2c3
Cc2sc(C)c3[C@H](c1c[nH]cn1)CCCc23	ZINC000000024133	C3CC(c1c[nH]cn1)c2cscc2C3
NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000000120199	c1ccccc1
C[C@@H](N)Cc1cn(C)c2ccccc12	ZINC000000204378	c2ccc1[nH]ccc1c2
CC(=O)CC(=O)N1CCOCC1	ZINC000000061072	C1COCCN1
Cc1ccc[n+]2cccnc12	ZINC000000408851	c2cc[n+]1cccnc1c2
COC(=O)c2c(C)nn(C(=O)c1cccs1)c2c3snnc3C	ZINC000000120196	O=C(c1cccs1)n2nccc2c3cnns3
C3CN(c2nc(c1ccccc1)ns2)CCN3	ZINC000000117404	C3CN(c2nc(c1ccccc1)ns2)CCN3
O=C(CN1CCCCC1)N3CCN(S(=O)(=O)c2ccccc2)C3	ZINC000000193627	O=C(CN1CCCCC1)N3CCN(S(=O)(=O)c2ccccc2)C3
CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c2cccnc2	ZINC000000126669	O=C(Nc1cccs1)c2cccnc2
COc4ccc3n(=O)ccc([C@@H](O)[C@@H]1C[C@@H]2CC[N@@]1C[C@H]2C=C)c3c4	ZINC000000398047	O=n3ccc(CC1CC2CCN1CC2)c4ccccc34
C[N+]13CCC(CC1)C2=C[C@@H](O)CC[C@@H]23	ZINC000000403627	C3CC=C2C1CCN(CC1)C2C3
CC(C)(C)OC(=O)N1CC[C@@H](N)C1	ZINC000000403623	C1CCNC1
CCN(CC)C(C)(C)CNc2cc(C)c(c1ccccc1)nn2	ZINC000000015414	c2ccc(c1cccnn1)cc2
CN(CC[N+]1(C)CCCC1)C(=O)[C@](O)(c2ccccc2)c3cccs3	ZINC000000607834	O=C(NCCN1CCCC1)C(c2ccccc2)c3cccs3
C[C@@]1(Br)CCOC1=O	ZINC000000155338	O=C1CCCO1
COc2ccc3C[N@@](C)CC[C@@]14C=C[C@@H](O)C[C@H]1Oc2c34	ZINC000000018473	C2CC14C=CCCC1Oc3cccc(CN2)c34
Cc3cc2c(=N)[nH]c1ccccc1[nH]c2s3	ZINC000000058203	N=c2[nH]c1ccccc1[nH]c3sccc23
Cc2cc(C)c(S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1)cc2C	ZINC000000079781	O=S(=O)(NC1CCNCC1)c2ccccc2
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2	ZINC000000403198	C1NC2CNC1C2
CC(C)(C)NC[C@H](O)CO	ZINC000000403194	nonring
OC[C@@H]1C[C@@H]2CC[N@]1C[C@H]2C=C	ZINC000000403190	C1CN2CCC1CC2
OC2C[N+]1(CCCCC1)C2	ZINC000000500705	C1CC[N+]2(CC1)CCC2
O=c1[nH]c(=S)[nH]c1=CC=Cc2cccs2	ZINC000000086310	O=c1[nH]c(=S)[nH]c1=CC=Cc2cccs2
NC(=O)c3cn(C1CCCCC1)c2ccccc2c3=O	ZINC000000086313	O=c2ccn(C1CCCCC1)c3ccccc23
OCC[C@H]1CCCC[N@]1CC(=O)c2c[nH]c3ccccc23	ZINC000000485856	O=C(CN1CCCCC1)c2c[nH]c3ccccc23
COc2ccc([C@H](N1CCCC1)C(N)=O)cc2	ZINC000000393748	C2CCN(Cc1ccccc1)C2
O=c3c1ccccc1c4nc2nonc2nc34	ZINC000000027763	O=c3c1ccccc1c4nc2nonc2nc34
COc2ccc(C[C@@H]1NC[C@@H](O)[C@@H]1OC(C)=O)cc2	ZINC000000402718	C2CNC(Cc1ccccc1)C2
Cc2nc(c1noc(C)n1)no2	ZINC000000027765	c2nc(c1ncon1)no2
NC(=N)c1ccccc1Cl	ZINC000000110578	c1ccccc1
Clc3ccc(Cn2c(=O)[nH]\c(=C/c1ccc(C#N)cc1)c2=O)cc3	ZINC000000074005	O=c2[nH]c(=Cc1ccccc1)c(=O)n2Cc3ccccc3
CN(C)CCc2c[nH]c3ccc(C[C@@H]1COC(=O)N1)cc23	ZINC000000005298	O=C3NC(Cc2ccc1[nH]ccc1c2)CO3
CC(C)(C)[N@]2CCO[C@H](c1ccc(N)nc1)C2	ZINC000000005293	C2COC(c1cccnc1)CN2
C[C@H]2[C@H]3Cc1ccc(O)cc1[C@]2(C)CCN3	ZINC000000005296	C3CC1CC(Cc2ccccc12)N3
CN[C@@H](C)COc1ccc(O)cc1	ZINC000000394243	c1ccccc1
On1c(=O)ccc2ccccc12	ZINC000000235908	O=c2ccc1ccccc1[nH]2
Cc2ccc1cccc(O)c1n2=O	ZINC000000235901	O=n1cccc2ccccc12
Cc2cc(C)c1ccc(C)n(=O)c1c2O	ZINC000000235902	O=n1cccc2ccccc12
Cc3ccc(C(=O)N2CCN(C(=O)CN1CCCC1)C2)cc3	ZINC000000063351	O=C(CN1CCCC1)N3CCN(C(=O)c2ccccc2)C3
Fc2ccc(n1n[o+]c(=O)[nH]1)cc2	ZINC000000051138	O=c2[nH]n(c1ccccc1)n[o+]2
Brc1ccccc1[n+]2noc(=O)[nH]2	ZINC000000051139	O=c2[nH][n+](c1ccccc1)no2
C[C@@H]2CC(=O)Nc1ccccc1O2	ZINC000000161123	O=C2CCOc1ccccc1N2
Cc1c(C#N)c(N)[nH]c1c2ccccc2F	ZINC000000021886	c2ccc(c1ccc[nH]1)cc2
Cc1cc(Cl)ccc1OCC(=O)Nc2cccc(N(=O)=O)c2C	ZINC000000038887	O=C(COc1ccccc1)Nc2ccccc2
C3CCN(CCOc2ccc(Cc1ccccc1)cn2)C3	ZINC000000021082	C3CCN(CCOc2ccc(Cc1ccccc1)cn2)C3
C[C@@H]2Nc1ccc(Cl)cc1S(=O)(=O)N2	ZINC000000005921	O=S2(=O)NCNc1ccccc12
CCOC(=O)c3ccc([C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c12)o3	ZINC000000048721	O=c3occc2OC=CC(c1ccco1)c23
Fc3cc2[C@H]1CNC[C@H](C1)c2cc3F	ZINC000000024032	C1NCC2CC1c3ccccc23
Cc2c(C=O)c1ccccc1n2C	ZINC000000059844	c2ccc1[nH]ccc1c2
CCC(=O)N3c1c(C)cc(C)cc1c2c(ssc2=S)C3(C)C	ZINC000000052814	S=c3ssc2CNc1ccccc1c23
CN(C)CCO[C@H](c1cccs1)c2ccnn2C	ZINC000000007743	C(c1ccn[nH]1)c2cccs2
OC[C@@H]1CCCC[N@]1[C@H]3CCc2ccccc2C3	ZINC000000220335	C3CCN(C2CCc1ccccc1C2)CC3
CCCC(=O)Nc2ccc(Oc1ccccc1OC)cc2	ZINC000000007747	O(c1ccccc1)c2ccccc2
CC(=O)Nc1ccccc1c3nc2ccccc2o3	ZINC000000020938	c3ccc(c2nc1ccccc1o2)cc3
Cc2nc1ccc(CO)cc1s2	ZINC000000039825	c2ccc1scnc1c2
OC[C@@H]2Sc1ccccc1NC2=O	ZINC000000039827	O=C2CSc1ccccc1N2
CC(=O)C[C@@H]1CCCCN1	ZINC000000001592	C1CCNCC1
Cc2nc1ccccn1c(=O)c2Cl	ZINC000000093633	O=c1ccnc2ccccn12
CN2CCN(CCCNCc1cnn(C(C)(C)C)c1)CC2	ZINC000037229196	C(CNCc1cn[nH]c1)CN2CCNCC2
COc1ccccc1C(=O)Nc3sc2CCCCc2c3C(N)=O	ZINC000000043972	O=C(Nc2cc1CCCCc1s2)c3ccccc3
CCOC(=O)C2=C(O)C(=O)N(c1ccccc1)[C@@H]2c3ccccc3	ZINC000000044657	O=C2C=CC(c1ccccc1)N2c3ccccc3
COc3ccc(OC)c(C[N@]2CCC[C@@H](C(=O)N1CCCCC1)C2)c3	ZINC000000212301	O=C(C2CCCN(Cc1ccccc1)C2)N3CCCCC3
NC(=O)COc3cc(OCC(N)=O)c2c1CCCCc1c(=O)oc2c3	ZINC000000043974	O=c3oc1ccccc1c2CCCCc23
Cc2cc(Sc1ccccn1)nc(N)n2	ZINC000000073331	S(c1ccccn1)c2ccncn2
O=C(NCc1ccco1)[C@@H]3COc2ccccc2O3	ZINC000000048549	O=C(NCc1ccco1)C3COc2ccccc2O3
COC(=O)C3=C(Nc1ccccc1)CN(c2ccccc2)C3	ZINC000000044388	C2C=C(Nc1ccccc1)CN2c3ccccc3
Cc1ccc(\C=N\NC(N)=S)s1	ZINC000000095745	c1ccsc1
c4ccc(c2nc1ccccc1n3cncc23)cc4	ZINC000000007564	c4ccc(c2nc1ccccc1n3cncc23)cc4
Cc2nc(C1=CCCNC1)cs2	ZINC000000010804	C2CC=C(c1cscn1)CN2
OC[C@H](O)[C@@H]2O[C@H](c1ccccc1)OC[C@@H]2O	ZINC000000040770	C2COC(c1ccccc1)OC2
CN(C)[C@H](C1COCOC1)c2cccnc2	ZINC000000000241	C2OCC(Cc1cccnc1)CO2
CN(C)CCO[C@@](C)(c1ccccc1)c2ccccn2	ZINC000000000242	C(c1ccccc1)c2ccccn2
Cn2c([n+]1ccccc1)c(C=O)sc2=O	ZINC000000549278	O=c2[nH]c([n+]1ccccc1)cs2
C[N@]1[C@H]3CC[C@@H]1CC(NC(=O)c2cccc(C(F)(F)F)c2)C3	ZINC000000132888	O=C(NC1CC2CCC(C1)N2)c3ccccc3
Cc4ccc(C2(c1ccc(C)cc1)C[C@@H]2C(=O)Nc3nccs3)cc4	ZINC000000191068	O=C(Nc1nccs1)C2CC2(c3ccccc3)c4ccccc4
CCn2c[n+](C[C@@H](O)COC1CCCCC1)c3cc(C)c(C)cc23	ZINC000000089056	C3CCC(OCCC[n+]1c[nH]c2ccccc12)CC3
Brc2c(C(=O)Nc1ccccc1C#N)[nH]nc2N(=O)=O	ZINC000000113871	O=C(Nc1ccccc1)c2ccn[nH]2
COc1ccccc1CC(=O)Nc2ccc(C)cc2	ZINC000000030160	O=C(Cc1ccccc1)Nc2ccccc2
COC(=O)C[C@@H](N)c2ccc1OCOc1c2	ZINC000000194614	C2Oc1ccccc1O2
Cc2cc(c1nc(C(O)=O)cs1)no2	ZINC000000123736	c2csc(c1ccon1)n2
COc2cc(Br)cc(CNc1cc(C)ccn1)c2O	ZINC000000135852	C(Nc1ccccn1)c2ccccc2
O=C(CSc2nnc3sc1ccccc1n23)NC4CCCCC4	ZINC000000142784	O=C(CSc2nnc3sc1ccccc1n23)NC4CCCCC4
Fc2cc1[nH]c(=O)oc1cc2NCC3CCOCC3	ZINC000000012778	O=c3[nH]c2ccc(NCC1CCOCC1)cc2o3
COC(=O)[C@H](Cc1cnc[nH]1)NCc2ccccc2	ZINC000000402730	C(Cc1cnc[nH]1)NCc2ccccc2
COc2cc1CC[N+](C)(C)Cc1cc2OC	ZINC000000488921	C2Cc1ccccc1CN2
O/N=C/c2ccc(N1CCOCC1)cc2	ZINC000000034086	C2CN(c1ccccc1)CCO2
CC2=NN(C(=O)c1ccc(N(=O)=O)cc1)[C@@](C)(O)C2	ZINC000000067157	O=C(N1CCC=N1)c2ccccc2
Cc1n[n+](C(C)(C)C)nn1C=C	ZINC000000052203	c1nnn[nH]1
COc3ccc(\C=c2\[nH]c(=S)n(C[C@@H]1CCCO1)c2=O)c(OC)c3	ZINC000000366522	O=c2n(CC1CCCO1)c(=S)[nH]c2=Cc3ccccc3
O=C(CN1CCCCC1)N2CCn5c3[C@@H]2CCCc3c6cc(C4CCCCC4)ccc56	ZINC000000626313	O=C(CN1CCCCC1)N2CCn5c3C2CCCc3c6cc(C4CCCCC4)ccc56
CC(C)(CO)NC[C@@H](O)c1ccccc1	ZINC000000004237	c1ccccc1
O=C(NCCN1CCCC1)C3c2ccccc2Oc4ccccc34	ZINC000000099861	O=C(NCCN1CCCC1)C3c2ccccc2Oc4ccccc34
CC1(C)CO[C@@H](CC(O)=O)CN1	ZINC000000006164	C1COCCN1
N[C@@H](Cc1ccccn1)c2ccccc2	ZINC000000006163	C(Cc1ccccn1)c2ccccc2
C[N+](C)(Cc1ccccc1)Cc2sc(Cl)c(Cl)c2Cl	ZINC000000054884	C(NCc1cccs1)c2ccccc2
NC(=O)c2nc1ccccc1s2	ZINC000000107957	c2ccc1scnc1c2
CC4(C)C(=O)Nc3cc2[nH]c(c1ccncc1)nc2cc34	ZINC000000000883	O=C4Cc3cc2nc(c1ccncc1)[nH]c2cc3N4
O[C@@H](COc1ccccc1)CSc3nc2ccccc2o3	ZINC000000034260	C(COc1ccccc1)CSc3nc2ccccc2o3
C3CC(c2cc(c1cccs1)n[nH]2)CCN3	ZINC000000153430	C3CC(c2cc(c1cccs1)n[nH]2)CCN3
CSc1cccc(NC(N)=O)c1	ZINC000000097932	c1ccccc1
COC(=O)C[C@@H](N)c1ccccc1	ZINC000000286961	c1ccccc1
Cc1ccc(C)n1CC2CCNCC2	ZINC000000157735	C2CC(Cn1cccc1)CCN2
COc4cc([C@@H]2CC(=O)Nc3ccc1ccccc1c23)cc(OC)c4O	ZINC000000035020	O=C2CC(c1ccccc1)c3c(N2)ccc4ccccc34
C[N@]1CCC[C@H]1c2cccnc2n4c(C)nc3ccccc3c4=O	ZINC000000519688	O=c3n(c1ncccc1C2CCCN2)cnc4ccccc34
O=C(Nc1ccno1)N2CCOCC2	ZINC000000122427	O=C(Nc1ccno1)N2CCOCC2
COc3ccc(CC1=NCCc2cc(OC)c(OC)cc12)cc3	ZINC000000006201	C3Cc1ccccc1C(Cc2ccccc2)=N3
CCN3CCN(c2ccc(/N=C/c1ccc(N(=O)=O)cc1)cc2)CC3	ZINC000000353102	C3CN(c2ccc(N=Cc1ccccc1)cc2)CCN3
Cc1nccn1C[C@@H](O)COc2ccc(Cl)cc2Cl	ZINC000000074255	C(COc1ccccc1)Cn2ccnc2
CCOC(=O)Cn3c1CCCc1c(=N)c2CCCc23	ZINC000000198621	N=c3c1CCCc1[nH]c2CCCc23
CCCn3c1CCCc1c(=N)c2CCCc23	ZINC000000198623	N=c3c1CCCc1[nH]c2CCCc23
CN2[C@@H]([N+](=O)Cc1ccccc1)C(C)(C)SC2=S	ZINC000000070542	O=[N+](Cc1ccccc1)C2CSC(=S)N2
C[C@@H]2CC(=O)Nc1ccccc1N2	ZINC000000152521	O=C2CCNc1ccccc1N2
COc2ccc(CC[C@@H](O)Cc1cccnc1)cc2	ZINC000000002669	C(CCc1cccnc1)Cc2ccccc2
CC[N@@](C(C)C)c1ccc(N)cc1	ZINC000000057546	c1ccccc1
CCCc3nnc4c(N1CCN(C)CC1)nc2ccc(Cl)cc2n34	ZINC000000366942	C4CN(c2nc1ccccc1n3cnnc23)CCN4
S=c1[nH]ccn1Cc2nccs2	ZINC000000002913	S=c1[nH]ccn1Cc2nccs2
O=n1onc2ccc(C#N)cc12	ZINC000000087294	O=n1onc2ccccc12
CC(=O)Nc2ccc(c1cc(=O)[nH]nc1C)cc2	ZINC000000002666	O=c2cc(c1ccccc1)cn[nH]2
CCOC(=O)c1cc(C(C)(C)C)[nH]n1	ZINC000000118764	c1cn[nH]c1
Oc2ccc1c(C(F)(F)F)cc(=O)[nH]c1c2	ZINC000000057275	O=c2ccc1ccccc1[nH]2
C(Oc2cc1cc[nH]c1cc2OCc3ccccc3)c4ccccc4	ZINC000000057277	C(Oc2cc1cc[nH]c1cc2OCc3ccccc3)c4ccccc4
CN2CCN(c1ccc(C(F)(F)F)cc1N)CC2	ZINC000000065173	C2CN(c1ccccc1)CCN2
C[C@@H](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2	ZINC000000057278	C(CNCCc1ccccc1)Cc2ccccc2
CC(=O)c2cc(N(=O)=O)c(Sc1cccc(Cl)c1Cl)s2	ZINC000000125366	S(c1ccccc1)c2cccs2
COc2ccc(OC[C@@H](O)CNC1CC(C)(C)NC(C)(C)C1)cc2	ZINC000000189012	C(CNC1CCNCC1)COc2ccccc2
NC(=O)C2(N1CCCCC1)CCNCC2	ZINC000000266396	C2CCN(C1CCNCC1)CC2
CN(CCO)c1ncnc2c(C)csc12	ZINC000000082177	c2ncc1sccc1n2
N[C@@H](CO)CSCc1ccccc1	ZINC000000156067	c1ccccc1
CN(C)C(On1nnc2ccccc12)=[N+](C)C	ZINC000000156069	c2ccc1[nH]nnc1c2
Nc2ccc(S(=O)(=O)c1ccc(N)cn1)cc2	ZINC000000002008	O=S(=O)(c1ccccc1)c2ccccn2
CN(C)C(=O)Oc1ccc[n+](C)c1	ZINC000000002009	c1ccncc1
NC(=O)c1cnccn1	ZINC000000002005	c1cnccn1
Cc3cccc(N2[C@H](c1c(Cl)cccc1Cl)SCC2=O)n3	ZINC000000027150	O=C2CSC(c1ccccc1)N2c3ccccn3
CC(=O)c2ccc(N1CCNCC1)c(F)c2	ZINC000000052575	C2CN(c1ccccc1)CCN2
COc1ccccc1C2=NC(C)(C)CO2	ZINC000000057056	C2CN=C(c1ccccc1)O2
COc3c1C[N@@](C)CCc1cc2OCOc23	ZINC000000402960	C3Cc2cc1OCOc1cc2CN3
CCN(CC)C(=O)c1cccc(C)c1	ZINC000000001291	c1ccccc1
CCN(CC)CCn1c(=N)n(CC(=O)OC)c2ccccc12	ZINC000000274214	N=c2[nH]c1ccccc1[nH]2
CC1(C)C[C@@H](O)N=C1c2ccccc2	ZINC000000116027	C2CN=C(c1ccccc1)C2
O=S(=O)(N1CCCCC1)c3ccc2OCCOc2c3	ZINC000000038968	O=S(=O)(N1CCCCC1)c3ccc2OCCOc2c3
CC(=C)c2cccc(C(C)(C)NC(=O)NC[C@@H]1COCCO1)c2	ZINC000000054497	O=C(NCC1COCCO1)NCc2ccccc2
O=c4c(C#N)c(N2CCc1ccccc1CC2)nc3CCCn34	ZINC000000026684	O=c4cc(N2CCc1ccccc1CC2)nc3CCCn34
CC2(C)CC(/N=C/c1ccccc1O)CC(C)(C)N2	ZINC000000135682	C2CC(N=Cc1ccccc1)CCN2
C[N+](C)(N)Cc1ccccc1	ZINC000000399040	c1ccccc1
CN(N)c1ncccc1C(F)(F)F	ZINC000000165264	c1ccncc1
CSc2c(CC(=O)NCCc1ccccc1)n(C)c3ccccc23	ZINC000000036644	O=C(Cc2cc1ccccc1[nH]2)NCCc3ccccc3
Clc1ccccc1CSCC(=O)Nc2ccccc2	ZINC000000036130	O=C(CSCc1ccccc1)Nc2ccccc2
C[N+]2(CCc1ccccc1)CCOCC2	ZINC000000245432	C2CN(CCc1ccccc1)CCO2
CC(C)OC(=O)Nc1nonc1C	ZINC000000039616	c1cnon1
O=C(CCc3nc(=O)c2c1CCCCc1sc2[nH]3)N4CCCCC4	ZINC000000200641	O=C(CCc3nc(=O)c2c1CCCCc1sc2[nH]3)N4CCCCC4
Cc1oc(C(C)(C)C)cc1C(N)=O	ZINC000000087843	c1ccoc1
CN2CCC([N@]1CCC[C@@H](CO)C1)CC2	ZINC000000221550	C2CCN(C1CCNCC1)CC2
O[C@@H]1C(=O)Nc2ccc(F)cc12	ZINC000000111128	O=C2Cc1ccccc1N2
CC2=NN(C(C)=O)[C@](O)(c1cccnc1)C2	ZINC000000079222	C1C=NNC1c2cccnc2
Cc2nc1ccc(NC=O)cc1s2	ZINC000000039802	c2ccc1scnc1c2
OC(=O)[C@H]1[C@@H]3C=C[C@H]([C@@H]1C(=O)Nc2cccc(Cl)c2)C34CC4	ZINC000000050436	O=C(Nc1ccccc1)C2CC3C=CC2C34CC4
CN2C(=O)[C@H](O)N=C(c1ccccc1)c3cc(Cl)ccc23	ZINC000000000740	O=C3CN=C(c1ccccc1)c2ccccc2N3
Cn2c(SCc1ccc(C(C)(C)C)cc1)nnc2c3cccs3	ZINC000000044492	C(Sc2nnc(c1cccs1)[nH]2)c3ccccc3
CN(C)c1cc(N)ccc1C	ZINC000000366316	c1ccccc1
COc1ccccc1NC(=O)CSCc2cnc(C)c(O)c2CO	ZINC000000094351	O=C(CSCc1cccnc1)Nc2ccccc2
COC(=O)[C@H]1CC(=C)C[C@H]1N	ZINC000000017929	C=C1CCCC1
NCC(=O)N[C@H](Cc1ccccc1)c2ccccc2	ZINC000000004154	C(Cc1ccccc1)c2ccccc2
Clc2ccc(OCC1=NCCN1)cc2Cl	ZINC000000001435	C2CN=C(COc1ccccc1)N2
CN1CC(=O)NC1=NC(=O)Nc2cccc(Cl)c2	ZINC000000001436	O=C2CNC(=NC(=O)Nc1ccccc1)N2
Oc2ccc(n1cnnn1)cc2O	ZINC000000026357	c2ccc(n1cnnn1)cc2
CCn2c1SC[C@H](O)C[n+]1c3ccccc23	ZINC000000439704	C3CSc2[nH]c1ccccc1[n+]2C3
CC2(C)OC(=O)N(Cc1ccco1)[C@]2(C)O	ZINC000000051250	O=C1OCCN1Cc2ccco2
C[C@H](c1ccc(Cl)c(Cl)c1)n2[nH]c(N)cc2=O	ZINC000000000521	O=c1cc[nH]n1Cc2ccccc2
O=C2CCC1(CCCCC1)N2	ZINC000001691720	O=C2CCC1(CCCCC1)N2
COc2ccc(C[C@@H](C)NC[C@@H](O)c1cc(N)cc(CO)c1)cc2	ZINC000000000529	C(Cc1ccccc1)NCCc2ccccc2
COc3ccc(NC(=O)CSc2nc1ccccc1o2)cc3	ZINC000000031914	O=C(CSc2nc1ccccc1o2)Nc3ccccc3
O=c2cc(c1ccncc1)[nH][nH]2	ZINC000000129538	O=c2cc(c1ccncc1)[nH][nH]2
C[C@@H]([C@@H]2OC[C@H](CN1CCCCC1)O2)c3ccccc3	ZINC000000187167	C3CCN(CC2COC(Cc1ccccc1)O2)CC3
COc2ccc(CNCc1ccc(OC)c(OC)c1OC)cc2	ZINC000000355356	C(NCc1ccccc1)c2ccccc2
OC[C@@H]2CCC[N@@](Cc1cc(F)ccc1F)C2	ZINC000000217681	C2CCN(Cc1ccccc1)CC2
COC(=O)CSc2nnc(c1ccncc1)n2Cc3ccccc3	ZINC000000077235	C(c1ccccc1)n2cnnc2c3ccncc3
CCN(CC)CCC(=O)c1ccc(OC)c(OC)c1	ZINC000000141445	c1ccccc1
Cc2cc(C)c1ccc(N)nc1n2	ZINC000000096070	c2cnc1ncccc1c2
CN2CCC([N@@](C)Cc1ccccc1)CC2	ZINC000000202093	C2CC(NCc1ccccc1)CCN2
Cc2c/c(=C/c1ccco1)c(=O)o2	ZINC000000081525	O=c1occc1=Cc2ccco2
NCCc1cccs1	ZINC000000154805	c1ccsc1
CCOc2cc(CNc1cn[nH]c(=O)c1Cl)ccc2OC	ZINC000000006379	O=c2cc(NCc1ccccc1)cn[nH]2
Clc2ccc(NC(=O)CCC(=O)OC[C@@H]1CCCO1)cc2Cl	ZINC000000135993	O=C(CCC(=O)OCC1CCCO1)Nc2ccccc2
CCc3ccc(NC(=O)NCC[N@]2CCc1ccccc1C2)cc3	ZINC000000249989	O=C(NCCN2CCc1ccccc1C2)Nc3ccccc3
CC(C)c3cc(\C=C1/CN2CCC1CC2)on3	ZINC000000006806	C1CN3CCC1C(=Cc2ccno2)C3
COc3ccc2CN(c1cccc(NC(C)=O)c1)C(=O)c2c3OC	ZINC000000047256	O=C2N(c1ccccc1)Cc3ccccc23
O/N=C/C(=O)Nc1ccc(F)cc1F	ZINC000000075851	c1ccccc1
CN2CCN(c1ccc(CO)cc1)CC2	ZINC000000158907	C2CN(c1ccccc1)CCN2
O=C(CNC1=NCCC1)c2ccccc2	ZINC000000238534	O=C(CNC1=NCCC1)c2ccccc2
COc3ccc(CN2CCN(c1ccccc1C)CC2)c(C)c3C	ZINC000000240757	C2CN(c1ccccc1)CCN2Cc3ccccc3
CCNC(=O)N2CCN(c1ccnc(C)n1)CC2	ZINC000000013139	C2CN(c1ccncn1)CCN2
COc3ccc2[nH]cc([C@@H](O)CN1CCC(C(N)=O)CC1)c2c3	ZINC000000541327	C3CCN(CCc1c[nH]c2ccccc12)CC3
O=C(NC2CCN(Cc1ccccc1)CC2)c3cccs3	ZINC000000209840	O=C(NC2CCN(Cc1ccccc1)CC2)c3cccs3
Cc2cnc1n(C)c(=O)n(C)c(=O)c1c2C	ZINC000000032935	O=c2[nH]c(=O)c1cccnc1[nH]2
Fc2cccc(NC(=O)CNC(=O)c1cc(Cl)cc(Cl)c1)c2	ZINC000000255801	O=C(CNC(=O)c1ccccc1)Nc2ccccc2
Cc3ncc2[C@@H](c1ccc(Cl)cc1)OCc2c3O	ZINC000000002277	C2OC(c1ccccc1)c3cnccc23
COc3ccc(N2C(=O)C[C@H](NCc1ccncc1)C2=O)cc3	ZINC000000181404	O=C2CC(NCc1ccncc1)C(=O)N2c3ccccc3
Cc2nn(c1ccccc1)nc2CN	ZINC000000158831	c2ccc(n1nccn1)cc2
Clc3ccc(C(=O)CN2Cc1ccccc1C2=N)cc3	ZINC000000193567	N=C2N(CC(=O)c1ccccc1)Cc3ccccc23
C[C@@]1(C(O)=O)NCCc2c1[nH]c3ccccc23	ZINC000000089551	C1Cc2c(CN1)[nH]c3ccccc23
C[C@@H](O)C#C[C@]1(C)CCCC(C)(C)O1	ZINC000000286598	C1CCOCC1
COc2ccc(O)c(C(=O)Nc1ccc(Cl)cc1)c2	ZINC000000024113	O=C(Nc1ccccc1)c2ccccc2
Cc2ccc(NC1N(N)C(=O)NC1=O)cc2	ZINC000000038199	O=C2NC(Nc1ccccc1)C(=O)N2
O=C2CCC1=C(CCCC1)N2	ZINC000000155024	O=C2CCC1=C(CCCC1)N2
Nc2cccc(NC(=O)c1cccs1)c2	ZINC000000038192	O=C(Nc1ccccc1)c2cccs2
Cc2cc1cc(C)nn1c(N)n2	ZINC000000038197	c2cc1ccnn1cn2
CN4CCN(C(=O)N2c1ccccc1CCc3ccccc23)CC4	ZINC000000199727	O=C(N1CCNCC1)N3c2ccccc2CCc4ccccc34
CC(C)[N@]1CCc2c(C1)sc(N)c2C#N	ZINC000000049943	C2Cc1ccsc1CN2
COc2ccc(CCN[C@@H]1C[C@@H](C)N(C)C[C@H]1C)cc2OC	ZINC000000360065	C2CC(NCCc1ccccc1)CCN2
Clc1ccccc1NC(=O)N2CCCC2=O	ZINC000000015432	O=C1CCCN1C(=O)Nc2ccccc2
C[C@H]2C[N@@](Cc1ccccc1)CCN2C(C)=O	ZINC000000408099	C2CN(Cc1ccccc1)CCN2
Fc3ccc(C(=O)CCN2CCN(Cc1ccccc1)CC2)cc3	ZINC000000408098	O=C(CCN2CCN(Cc1ccccc1)CC2)c3ccccc3
Cc3nc([C@H]1CN2CCC1CC2)no3	ZINC000000002493	C1CN3CCC1C(c2ncon2)C3
C[N+]2=C(C=CNc1ccccc1)OCC2	ZINC000000402555	C2CN=C(C=CNc1ccccc1)O2
Cc2n(C)c1ccccc1[n+]2C[C@@H](O)COC3CCCCC3	ZINC000000110086	C3CCC(OCCC[n+]1c[nH]c2ccccc12)CC3
CC3(C)C[C@@H](C(=O)COc2ccc1ccc(=O)oc1c2)CCO3	ZINC000000046539	O=C(COc2ccc1ccc(=O)oc1c2)C3CCOCC3
O=C(N1CCSCC1)c3ccnc(C(=O)N2CCSCC2)c3	ZINC000000005053	O=C(N1CCSCC1)c3ccnc(C(=O)N2CCSCC2)c3
Cc1cccc2n[nH]cc12	ZINC000000337344	c2ccc1n[nH]cc1c2
COC(=O)c2cc(CCc1cc(OC)ccc1OC)ccc2O	ZINC000000005724	C(Cc1ccccc1)c2ccccc2
O=[S@@](N1CCOCC1)c2ccc(N(=O)=O)cc2	ZINC000000046536	O=S(N1CCOCC1)c2ccccc2
COc2ccc(CN(C)C1CCN(C)CC1)cc2	ZINC000000240245	C2CC(NCc1ccccc1)CCN2
CN2CCN(c1cc(C)c(C#N)c(Cl)n1)CC2	ZINC000000162906	C2CN(c1ccccn1)CCN2
CCN(CC)S(=O)(=O)c2csc(C(=O)Nc1ccccc1)c2	ZINC000000060877	O=C(Nc1ccccc1)c2cccs2
CSc1ccccc1C(=O)Nc3ccc(NC(=O)c2ccccc2SC)cc3	ZINC000000625549	O=C(Nc2ccc(NC(=O)c1ccccc1)cc2)c3ccccc3
CCOc2ccc([C@@H]1NC(=S)N=C(C)C1C(=O)OC)cc2	ZINC000000085837	S=C2NC(c1ccccc1)CC=N2
Nc2ccn(c1ccccc1)n2	ZINC000000068824	c2ccc(n1cccn1)cc2
COc3ccc(Cc2nnc(NC(=O)Cc1cccs1)s2)cc3	ZINC000000074060	O=C(Cc1cccs1)Nc3nnc(Cc2ccccc2)s3
CSc1ncccc1C#N	ZINC000000091886	c1ccncc1
CCN(CC(C)=C)C(=O)C2CCN(Cc1ccccn1)CC2	ZINC000000236121	C2CCN(Cc1ccccn1)CC2
C[C@@H]2C[N@](C(C)(C)C)C[C@](O)(c1ccccc1)C2	ZINC000000051110	C2CNCC(c1ccccc1)C2
Fc2ccc(C(=O)n1cc(Cl)cn1)cc2	ZINC000000037184	O=C(c1ccccc1)n2cccn2
Cn1c(C(F)(F)F)nc2[n+](C)cccc12	ZINC000000500393	c2cnc1nc[nH]c1c2
Cc2c(c1ccccc1)n(C)c(=O)n2C4CCN(Cc3ccccc3)CC4	ZINC000000592273	O=c2[nH]c(c1ccccc1)cn2C4CCN(Cc3ccccc3)CC4
Cc3ccc(/N=C/c2ccc(OC(=O)c1ccccc1)cc2)c(C)c3	ZINC000000059131	O=C(Oc2ccc(C=Nc1ccccc1)cc2)c3ccccc3
Cc5ccc(C1=NN3[C@H](C1)c2ccccc2O[C@@H]3c4cccs4)cc5	ZINC000000278075	C1C4N(N=C1c2ccccc2)C(c3cccs3)Oc5ccccc45
C=CCC(CC=C)(NC(=O)c1ccc(N(=O)=O)cc1)c2ccccc2	ZINC000000264974	O=C(NCc1ccccc1)c2ccccc2
Cc1c(C#N)c(=O)oc2ccc(Cl)cc12	ZINC000000058083	O=c2ccc1ccccc1o2
Cc2cc(\C=c1\[nH]c(=O)[nH]c1=O)c(C)n2c3ccc(Cl)cc3	ZINC000000036584	O=c3[nH]c(=O)c(=Cc2ccn(c1ccccc1)c2)[nH]3
CC(C)C(=O)c1c(C(C)C)nn2ccccc12	ZINC000000004234	c2ccn1nccc1c2
O=C(CSc2nc1cccnc1[nH]2)NCc4ccc3OCOc3c4	ZINC000000140014	O=C(CSc2nc1cccnc1[nH]2)NCc4ccc3OCOc3c4
CCC(=O)C2(c1cccc(O)c1)CCN(C)CC2	ZINC000000001600	C2CC(c1ccccc1)CCN2
CC(C)[N+]1(C)CC[C@H](O)N1C=O	ZINC000000024324	C1CNNC1
CCN(CC)CC(=O)Nc1cc(C)nn1c2ccccc2	ZINC000000159018	c2ccc(n1cccn1)cc2
Oc2ccc(c1nnco1)cc2	ZINC000000110470	c2ccc(c1nnco1)cc2
O=C3C[C@H](N1CCCc2ccccc12)C(=O)N3c4ccccc4	ZINC000000044671	O=C3CC(N1CCCc2ccccc12)C(=O)N3c4ccccc4
O=C(Nc2ccc(N1CCOCC1)cc2)c3ccc(N(=O)=O)cc3	ZINC000000043952	O=C(Nc2ccc(N1CCOCC1)cc2)c3ccccc3
O=C(NCc1ccccc1)c2ccccc2N(=O)=O	ZINC000000038750	O=C(NCc1ccccc1)c2ccccc2
CCC(=O)Nc2sc(Cc1ccccc1)c(C)c2C(N)=O	ZINC000000038752	C(c1ccccc1)c2cccs2
C[n+]1cccc2cc(N(=O)=O)ccc12	ZINC000000548873	c2ccc1ncccc1c2
CC(C)CC[n+]1ccc(C(N)=O)cc1	ZINC000000394263	c1ccncc1
O=C(Nn1cnnc1)c2ccccc2	ZINC000000039804	O=C(Nn1cnnc1)c2ccccc2
CN(C)C(=O)c2ccc[n+](Cc1ccc(Cl)c(Cl)c1)c2	ZINC000000394266	C(c1ccccc1)[n+]2ccccc2
Nc1ccccc1c2n[nH]c(=O)[nH]c2=O	ZINC000000039808	O=c2[nH]nc(c1ccccc1)c(=O)[nH]2
CCC[N@]1CCC[C@H]2[C@H]1COc3ccc(O)cc23	ZINC000000004090	C3CNC2COc1ccccc1C2C3
Nc3nc2n([C@H]1C[C@@H](CO)C=C1)cnc2c(=O)[nH]3	ZINC000000004093	O=c2[nH]cnc3n(C1CCC=C1)cnc23
CC(=O)Oc2cccc3sc(c1ccc(C)cc1)nc23	ZINC000000004099	c3ccc(c2nc1ccccc1s2)cc3
CCn2c(C)[n+](c1ccccc1)c3ccc(S(=O)(=O)N(C)C)cc23	ZINC000000243461	c3ccc([n+]1c[nH]c2ccccc12)cc3
CCn1c(C)[n+](CC)c2cc(C(=O)N(C)C)ccc12	ZINC000000243465	c2ccc1[nH]cnc1c2
Cc2ccc(C(=O)Nc1cccc(Cl)c1)cc2	ZINC000000029633	O=C(Nc1ccccc1)c2ccccc2
CC(C)(C)c2cc1OC(=O)Cc1c(C(C)(C)C)c2O	ZINC000000021359	O=C2Cc1ccccc1O2
OCn1cnc2ccccc12	ZINC000000043480	c2ccc1[nH]cnc1c2
Cc1c[nH]nc1c2cccs2	ZINC000000141275	c2csc(c1cc[nH]n1)c2
CN2c1sc(C)c(C)c1C(O)=CS2(=O)=O	ZINC000000126383	O=S2(=O)Nc1sccc1C=C2
FC(F)(F)c2cccc(N1CCNCC1)c2	ZINC000000056464	C2CN(c1ccccc1)CCN2
O[C@@H](CNCc2ccc1OCOc1c2)COc3ccccc3	ZINC000000119165	C(CNCc2ccc1OCOc1c2)COc3ccccc3
C[C@]12CCC(=O)[C@@]1(C)CCC2=O	ZINC000000135835	O=C1CCC2C1CCC2=O
NC(=N)c1ccoc1	ZINC000000161811	c1ccoc1
O=c4c([n+]1ccccc1)cc3[nH]c2ccccc2c3n4c5ccccc5	ZINC000000318448	O=c4c([n+]1ccccc1)cc3[nH]c2ccccc2c3n4c5ccccc5
CC(C)Oc3ccc(Cc2ccc(NC1=NCCN1)cc2)cc3	ZINC000000007547	C3CN=C(Nc2ccc(Cc1ccccc1)cc2)N3
NC2CCC(OC(=O)CNC(=O)OCc1ccccc1)CC2	ZINC000000332312	O=C(CNC(=O)OCc1ccccc1)OC2CCCCC2
CC[C@](O)(\C=C\Cl)C#C	ZINC000000000267	nonring
C[C@@H]2CC(=O)Nc1ccccc1N2C(N)=O	ZINC000000173225	O=C2CCNc1ccccc1N2
CCC(=O)Oc3cccc(n2c(=O)c1cccc(N(=O)=O)c1c2=O)c3	ZINC000000043002	O=c2n(c1ccccc1)c(=O)c3ccccc23
Clc2ccc(S(=O)(=O)CCNC1CCCCC1)cc2	ZINC000000165485	O=S(=O)(CCNC1CCCCC1)c2ccccc2
Cc1cc[n+](CCO)c2ccccc12	ZINC000000294862	c2ccc1ncccc1c2
CCC2=C(O)c1ccccc1S2(=O)=O	ZINC000000339696	O=S2(=O)C=Cc1ccccc12
Cn1cccc1CNC[C@@H]2CCCO2	ZINC000000360271	C2COC(CNCc1ccc[nH]1)C2
O=c2[nH]cc(c1cncs1)c(=O)[nH]2	ZINC000000984503	O=c2[nH]cc(c1cncs1)c(=O)[nH]2
CC(=C)CNC[C@@H]1OCCc2ccccc12	ZINC000000168992	C2Cc1ccccc1CO2
Cc3nc2ccc(C(=O)N(CC=C)c1ccccc1)cc2nc3C	ZINC000000034202	O=C(Nc1ccccc1)c3ccc2nccnc2c3
CC1(C)NC(=N)NC(=N)N1c3ccc(CCC(=O)N2CCOCC2)cc3	ZINC000016954278	N=C3NCN(c2ccc(CCC(=O)N1CCOCC1)cc2)C(=N)N3
C[n+]2cccc(C(=O)NC[C@@H]1CCCO1)c2	ZINC000000383140	O=C(NCC1CCCO1)c2cccnc2
CC(=O)Nc1ccc(S(=O)(=O)NN)cc1	ZINC000000032152	c1ccccc1
COC[C@@H](N)[C@@H](O)c1ccccc1	ZINC000000409382	c1ccccc1
CN4CCN(c2nc1ccccc1n3c(C)nnc23)CC4	ZINC000000236466	C4CN(c2nc1ccccc1n3cnnc23)CCN4
CN2C=[N+](S(=O)(=O)c1ccc(C)cc1)CC2(C)C	ZINC000000409385	O=S(=O)([N+]1=CNCC1)c2ccccc2
CCOC(=O)C2C(c1ccc(Br)o1)C(C(=O)OCC)C(=C)NC2=C	ZINC000000623263	C=C2CC(c1ccco1)CC(=C)N2
Nc2nc(N)n(c1ccccc1)n2	ZINC000000039697	c2ccc(n1cncn1)cc2
COC(=O)CSC2=C(C#N)[C@@H](c1cccc(F)c1)CC(=O)N2	ZINC000000083202	O=C2CC(c1ccccc1)C=CN2
CCN(CC)C[C@@H](O)Cn2c1ccc(Br)cc1c3cc(Br)ccc23	ZINC000000626494	c1ccc3c(c1)[nH]c2ccccc23
Nc1ccc(C(F)(F)F)cc1N	ZINC000000092915	c1ccccc1
COC(=O)[n+]2ccc(N1CCOCC1)cc2	ZINC000000368079	C2CN(c1ccncc1)CCO2
O=C(Cc1cccc2ccccc12)Nn4c(=O)c3ccccc3c4=O	ZINC000000072503	O=C(Cc1cccc2ccccc12)Nn4c(=O)c3ccccc3c4=O
Clc1ccccc1n2c(=O)ccc2=O	ZINC000000096687	O=c1ccc(=O)n1c2ccccc2
Cc1c(C)c(C(N)=O)sc1C#N	ZINC000000139338	c1ccsc1
CCS(=O)(=O)N1CCNCC1	ZINC000000356407	C1CNCCN1
CC(C)NC[C@@H](O)COc1c(F)cc(Br)cc1F	ZINC000000230604	c1ccccc1
O=C(CNC(=O)C1CCCCC1)N3CCC(N2CCCCC2)CC3	ZINC000000248391	O=C(CNC(=O)C1CCCCC1)N3CCC(N2CCCCC2)CC3
Cn3ncc(C12CCN(CC1)C2)n3	ZINC000000013300	C2CC3(c1cn[nH]n1)CCN2C3
C[N@]2CCCN(Cc1cccc(N(=O)=O)c1)CC2	ZINC000000236608	C2CNCCN(Cc1ccccc1)C2
NC2CN(C(=O)[C@H]1CNC(=O)C1)C2	ZINC000134907690	O=C2CC(C(=O)N1CCC1)CN2
O[C@@]2(c1ccc(F)cc1)CCNC2	ZINC000000110767	C2CC(c1ccccc1)CN2
CC[C@@]1(C)Cc3c(CO1)c(N2CCOCC2)[nH]c(=S)c3C#N	ZINC000000266623	S=c3cc1CCOCc1c(N2CCOCC2)[nH]3
O=C(Cc1ccccc1)Nc4c2CCCCc2nc3CCCc34	ZINC000000198606	O=C(Cc1ccccc1)Nc4c2CCCCc2nc3CCCc34
CCCN3CCC(N2CCN(c1ccc(C(C)=O)cc1)CC2)CC3	ZINC000000280208	C3CC(N2CCN(c1ccccc1)CC2)CCN3
CCN(CC)c3ccc(n2cc1n(C)c(=O)n(C)c(=O)c1c2)cc3	ZINC000000530561	O=c3[nH]c(=O)c2cn(c1ccccc1)cc2[nH]3
C[C@@H]1CCc3c(C1)sc(NC(=O)C2CC2)c3C#N	ZINC000000035551	O=C(Nc2cc1CCCCc1s2)C3CC3
Cc1csc(Cl)c1NC2=NCCN2	ZINC000000002646	C2CN=C(Nc1ccsc1)N2
CCOC(=O)C2[C@@H](c1ccc(C)cc1)n3c(N=C2C)nc4ccccc34	ZINC000000039245	C3C=Nc2nc1ccccc1n2C3c4ccccc4
CN(C)c2nc(N)nc(CN(C)S(=O)(=O)c1ccccc1)n2	ZINC000000039247	O=S(=O)(NCc1ncncn1)c2ccccc2
Cn2c(=O)[nH]c(=O)c3n(CC=C)c(N1CCCCC1)nc23	ZINC000000041571	O=c3[nH]c(=O)c2[nH]c(N1CCCCC1)nc2[nH]3
C[C@@H]([C@@H](O)c1ccccc1)[N@@](C)CC(=O)N2CCOCC2	ZINC000000525526	O=C(CNCCc1ccccc1)N2CCOCC2
COC(=O)CC1(CN(C)C)CCCCC1	ZINC000000158401	C1CCCCC1
O=C(N[C@H]2CCc1nc[nH]c1C2)c3ccccc3Oc4ccccc4	ZINC000000027170	O=C(NC2CCc1nc[nH]c1C2)c3ccccc3Oc4ccccc4
C3CN(c2ccc1ccccc1n2)CCN3	ZINC000000002020	C3CN(c2ccc1ccccc1n2)CCN3
Nc2ncnc(N1CCCCC1)c2N	ZINC000000284052	C2CCN(c1ccncn1)CC2
O=N(=O)c3ccc(Cn1c(=O)sc2ccccc12)cc3	ZINC000000041163	O=c2sc1ccccc1n2Cc3ccccc3
CN(C)\C=N\Cc1ccccc1OC(F)(F)F	ZINC000000165248	c1ccccc1
Cc2ccc(c1nn[nH]n1)cc2Cl	ZINC000000089812	c2ccc(c1nn[nH]n1)cc2
CN(Cc1ccccc1)C(=O)Cn2nc(N(=O)=O)cc2C	ZINC000000033099	O=C(Cn1cccn1)NCc2ccccc2
COc1ccccc1n3c(=O)c2ccc(NC(C)=O)cc2c3=O	ZINC000000033098	O=c2n(c1ccccc1)c(=O)c3ccccc23
CCOC(=O)N3CCN(CC1=CC[C@H]2C[C@@H]1C2(C)C)CC3	ZINC000000218173	C3CN(CC1=CCC2CC1C2)CCN3
Cc2ccc(c1nc(N(=O)=O)n[nH]1)cc2	ZINC000000033097	c2ccc(c1ncn[nH]1)cc2
C1CN3CCC1C(=C/c2ccccn2)/C3	ZINC000000022185	C1CN3CCC1C(=Cc2ccccn2)C3
COc2ccc(CCc1nc(C)cc(CN(C)C)c1O)cc2OC	ZINC000000300811	C(Cc1ccccn1)c2ccccc2
FC(F)(F)C(=O)Nc3ccc2c(Cc1cc(N(=O)=O)ccc12)c3	ZINC000000056675	C2c1ccccc1c3ccccc23
CCCn1c(C)cc(C)c(C#N)c1=O	ZINC000000087862	O=c1cccc[nH]1
ClC(Cl)(Cl)[C@@H](NC(=O)c1ccco1)Oc2ccccc2	ZINC000000046662	O=C(NCOc1ccccc1)c2ccco2
Clc2ccc(NC(=O)C1CC1)nc2	ZINC000000053249	O=C(Nc1ccccn1)C2CC2
Cc3ccc2nc(N1CCNCC1)c(C#N)cc2c3	ZINC000000411060	C3CN(c2ccc1ccccc1n2)CCN3
Fc1ccccc1C(=O)OCCN2CCCCC2	ZINC000000210741	O=C(OCCN1CCCCC1)c2ccccc2
FC(=C)c1c[nH]c(=O)[nH]c1=O	ZINC000000019687	O=c1cc[nH]c(=O)[nH]1
CC2=[N+](C)c1cc(C(F)(F)F)ccc1C2(C)C	ZINC000000086924	C1C=Nc2ccccc12
Cc2[nH]c1c(F)cccc1c2CCN	ZINC000000098107	c2ccc1[nH]ccc1c2
CCN(CC)c2ccc(\C=N\NC(=S)Nc1ccc(C)cc1)cc2	ZINC000000499170	S=C(NN=Cc1ccccc1)Nc2ccccc2
O=C1NC(=O)[C@@H]2[C@H]1Cc3ccccc23	ZINC000000000726	O=C1NC(=O)C2C1Cc3ccccc23
NC(=O)OC[C@@H](O)c1ccccc1	ZINC000000000725	c1ccccc1
CC(C)(C)[C@@H](O)\C=C\c2ccc1OCOc1c2	ZINC000000000724	C2Oc1ccccc1O2
NC[C@H]2COc1ccccc1O2	ZINC000000158539	C2COc1ccccc1O2
C4CCN3C[C@@H]1C[C@@H](C[N@]2CCCC[C@H]12)[C@H]3C4	ZINC000000000721	C4CCN3CC1CC(CN2CCCCC12)C3C4
CC1=CCN(CCNC(N)=N)CC1	ZINC000000001523	C1CC=CCN1
Cc1cc(=O)[nH]nc1Cl	ZINC000000337144	O=c1cccn[nH]1
O=C2CCNc3ccc(c1ccccc1)cc23	ZINC000000050535	O=C2CCNc3ccc(c1ccccc1)cc23
O=N(=O)Nc1ccccn1	ZINC000000085310	c1ccncc1
c3ccc(c2nnc(c1ccccn1)o2)nc3	ZINC000000055058	c3ccc(c2nnc(c1ccccn1)o2)nc3
Nc5ccc(Cc4ccc(N3C(=O)[C@H]2[C@H]1C[C@H](C=C1)[C@H]2C3=O)cc4)cc5	ZINC000000085319	O=C3C2C1CC(C=C1)C2C(=O)N3c5ccc(Cc4ccccc4)cc5
CC(C)=c2c(=O)[nH]n(c1ccccc1)c2=O	ZINC000000173035	C=c2c(=O)[nH]n(c1ccccc1)c2=O
CCCC(=O)Nc2c1CCCCc1nc3ccccc23	ZINC000000004173	C3CCc2nc1ccccc1cc2C3
C[C@@H]2C[C@H](OC(=O)c1ccccc1)CC(C)(C)N2	ZINC000000001410	O=C(OC1CCNCC1)c2ccccc2
NC(=O)C2CCN([C@@H]1CCSC1)CC2	ZINC000000221752	C2CCN(C1CCSC1)CC2
CN(C)CCCn2c(=O)c1ccccc1c3ccccc23	ZINC000000001418	O=c2[nH]c1ccccc1c3ccccc23
CCOC(=O)c2n[nH]c(c1ccccn1)n2	ZINC000000105964	c2ccc(c1ncn[nH]1)nc2
CCOc1ccc(NC(=O)C[C@@H](C)O)cc1	ZINC000000000099	c1ccccc1
Nc3c1CCCc1nc4ccn(Cc2ccccc2)c(=O)c34	ZINC000000545331	O=c3n(Cc1ccccc1)ccc4nc2CCCc2cc34
COc1cc(C[C@@H](C)N)c(OC)cc1Br	ZINC000000000092	c1ccccc1
FC(F)(F)C3=Nc1ccccc1N(c2ccc(Cl)c(Cl)c2)C3	ZINC000000031932	C2C=Nc1ccccc1N2c3ccccc3
CC(=O)N3CCc2[nH]c1ccc(C)cc1c2C3	ZINC000000099413	C3Cc2[nH]c1ccccc1c2CN3
O[C@H](Cn2c(=N)n(CCN1CCCC1)c3ccccc23)c4ccco4	ZINC000000241422	N=c3n(CCN1CCCC1)c2ccccc2n3CCc4ccco4
COc3ccc(C(=O)c2c1CCNCc1sc2NC(C)=O)cc3	ZINC000000156239	O=C(c1ccccc1)c3csc2CNCCc23
O=c3nc(N2CCN(c1ccccc1)CC2)s/c3=C/c4ccccc4	ZINC000000133254	O=c3nc(N2CCN(c1ccccc1)CC2)sc3=Cc4ccccc4
C[C@@H]2OCc1c[n+](C)c(C)c(OC(C)=O)c1CO2	ZINC000000187146	C2OCc1ccncc1CO2
CCN4CCN(c2nnc(c1ccc(C)c(C)c1)c3ccccc23)CC4	ZINC000000137417	C4CN(c2nnc(c1ccccc1)c3ccccc23)CCN4
CC(=O)c2cc(C1CCCCC1)ccc2OC[C@@H](O)CNC(C)(C)C	ZINC000000155484	C2CCC(c1ccccc1)CC2
Cn2nnc(NC(=O)c1ccccc1F)n2	ZINC000000052352	O=C(Nc1nn[nH]n1)c2ccccc2
Fc5ccc(c3[nH]cc(C2=C[C@@H]1CCC[N@]1CC2)c3c4ccncc4)cc5	ZINC000000590353	C5CC4C=C(c2c[nH]c(c1ccccc1)c2c3ccncc3)CCN4C5
c4ccc(c3nn(c1ccccc1)[n+](c2ccccc2)n3)cc4	ZINC000000154828	c4ccc(c3nn(c1ccccc1)[n+](c2ccccc2)n3)cc4
Cc1cc(S(N)(=O)=O)c(C)cc1Cl	ZINC000000091229	c1ccccc1
CC(=O)c2cc1OCOc1cc2N	ZINC000000154822	C2Oc1ccccc1O2
Brc3ccc2[nH]c(=O)cc(C(=O)NCc1ccco1)c2c3	ZINC000000263730	O=C(NCc1ccco1)c2cc(=O)[nH]c3ccccc23
Nc3ccc2nc(SCC(=O)NC1CC1)sc2c3	ZINC000000051919	O=C(CSc2nc1ccccc1s2)NC3CC3
CC1(C)Cc3c(CO1)sc4[nH]c(=O)n(c2ccccc2)c(=O)c34	ZINC000000048915	O=c3[nH]c2sc1COCCc1c2c(=O)n3c4ccccc4
CCOC(=O)c1ccc(C)[n+](C)c1	ZINC000000453411	c1ccncc1
CN(C)CC[C@@H](O)c1ccccc1	ZINC000000399624	c1ccccc1
COc4ccc(CC(=O)n2c1ccccc1sc3ccccc23)cc4	ZINC000000117831	O=C(Cc1ccccc1)n3c2ccccc2sc4ccccc34
N[C@@H](Cc1ccccc1)C(O)(CC=C)CC=C	ZINC000000173965	c1ccccc1
CCOC(=O)c1c(NC(=O)CC(C)C)scc1c2cccs2	ZINC000000235396	c2csc(c1ccsc1)c2
Nc1cc(Cl)c(Cl)cc1N	ZINC000000153086	c1ccccc1
N[C@@H](CO)CC1CCCCC1	ZINC000000154758	C1CCCCC1
CCOC(=O)C2CCN(CCC(=O)c1ccc(OCC)cc1)CC2	ZINC000000206117	O=C(CCN1CCCCC1)c2ccccc2
COc2cc(OC)nc(C1CCNCC1)n2	ZINC000000154373	C2CC(c1ncccn1)CCN2
CN(C)c3ccc([C@H](CN(=O)=O)c1c(C)[nH]c2ccccc12)cc3	ZINC000000038209	C(c1ccccc1)c2c[nH]c3ccccc23
CC(=O)ON=C1CC(C)(C)NC(C)(C)C1	ZINC000000040493	N=C1CCNCC1
Nc2n[nH]c3c(c1cccc(Cl)c1)[nH][nH]n23	ZINC000000038203	c3ccc(c1[nH][nH]n2cn[nH]c12)cc3
Cc4ccc3n2CCN=C1CCCc(c12)c3c4	ZINC000000032914	C2CC1=NCCn3c1c(C2)c4ccccc34
Nc2n[nH]c3c(c1ccc(F)cc1)[nH][nH]n23	ZINC000000038200	c3ccc(c1[nH][nH]n2cn[nH]c12)cc3
CC1(C)[C@H]2CC[C@H](O)[C@@H]1C2	ZINC000001769475	C1CC2CC(C1)C2
Cc2ccc(C[n+]1cccc(C(N)=O)c1)cc2	ZINC000000160601	C(c1ccccc1)[n+]2ccccc2
CC(C)[C@@H]1OCC[N+]1(C)C	ZINC000000114254	C1COCN1
Fc3ccc(/N=C/c2ccc(OC(=O)c1cccs1)cc2)cc3	ZINC000000064518	O=C(Oc2ccc(C=Nc1ccccc1)cc2)c3cccs3
CCc3ccc(Oc2coc1cc(OC(=O)OC)ccc1c2=O)cc3	ZINC000000080945	O=c2c(Oc1ccccc1)coc3ccccc23
NCc2ccc(N1CCOCC1)cc2	ZINC000000158855	C2CN(c1ccccc1)CCO2
CN3CCN(C(=O)c2ccc(C#Cc1ccccc1)cc2)CC3	ZINC000000101265	O=C(N1CCNCC1)c3ccc(C#Cc2ccccc2)cc3
Nc2sc1CCCCc1c2C#N	ZINC000000126979	C2CCc1sccc1C2
CCOc1ccccc1NC(=O)c2ccco2	ZINC000000029989	O=C(Nc1ccccc1)c2ccco2
CN(C)c2ccc(C[N@@](C)C[C@@H](O)c1ccccc1)cc2	ZINC000000212988	C(Cc1ccccc1)NCc2ccccc2
Fc3ccc(C(=O)N2CCN(C1CCCC1)CC2)cc3	ZINC000000239704	O=C(N2CCN(C1CCCC1)CC2)c3ccccc3
C[N+](C)(C)c1ccc(C=O)cc1	ZINC000000083942	c1ccccc1
CCOc3cc(\C=N\NC(=O)Cn1cnc2ccccc12)ccc3O	ZINC000000073065	O=C(Cn1cnc2ccccc12)NN=Cc3ccccc3
CNC(=S)Nc1cccc(C(=O)NC)c1	ZINC000000135315	c1ccccc1
C[C@@]3(c2cccc(OCc1ccc(Cl)cc1)c2)NC(=O)NC3=O	ZINC000000078294	O=C3NC(c2cccc(OCc1ccccc1)c2)C(=O)N3
Fc4ccc(C(=O)[C@@H]1O[C@@]13C(=O)Nc2ccccc23)cc4	ZINC000000097011	O=C2Nc1ccccc1C23OC3C(=O)c4ccccc4
Clc2cc(NC(=O)Cc1ccccc1)ccc2Br	ZINC000000045866	O=C(Cc1ccccc1)Nc2ccccc2
CC2CCN(CN1C(=O)CCC1=O)CC2	ZINC000000298732	O=C1CCC(=O)N1CN2CCCCC2
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]2c(C)n(C)c3ccccc23	ZINC000000193848	O=C(C[n+]1c[nH]c2ccccc12)OC3CCCCC3
Cc1cc(=O)oc3c1ccc2occ(O)c23	ZINC000000127622	O=c3ccc2ccc1occc1c2o3
COc2ccc(Cc1cnc(N)nc1N)c(OC)c2	ZINC000000010464	C(c1ccccc1)c2cncnc2
NC(=O)c1cccnc1OCC(F)(F)F	ZINC000000077966	c1ccncc1
NC(=O)C2CCN(Cc1ccc(Cl)cc1)CC2	ZINC000000042075	C2CCN(Cc1ccccc1)CC2
O=C2CCCN(c1ccccc1)N2	ZINC000000003709	O=C2CCCN(c1ccccc1)N2
COc2cc(CNCc1cccnc1)ccc2OCC(N)=O	ZINC000000360045	C(NCc1cccnc1)c2ccccc2
C[N+](=O)Cc1ccc(C(F)(F)F)cc1	ZINC000000084687	c1ccccc1
Clc3ccc(C(=O)Nn2cnc1ccccc1c2=O)c(Cl)c3	ZINC000000069644	O=C(Nn2cnc1ccccc1c2=O)c3ccccc3
COc2cc(NCc1cc(Cl)cc(Cl)c1OC)ccc2NC(=O)C(C)C	ZINC000000623922	C(Nc1ccccc1)c2ccccc2
CCc2ccc(NC(=O)[C@@H]1CC(=O)N=C(N)S1)cc2	ZINC000000207409	O=C2CC(C(=O)Nc1ccccc1)SC=N2
OCC[N+]14CCC(CC1)[C@@H](C(O)(c2ccccc2)c3ccccc3)C4	ZINC000000499346	C1CN4CCC1C(C(c2ccccc2)c3ccccc3)C4
COC(=O)[C@@H]4Cc1c([nH]c2ccccc12)C3(CCN(C)CC3)N4	ZINC000000083417	C4Cc1c([nH]c2ccccc12)C3(CCNCC3)N4
C1CN3CCC1C(c2ccsc2)=C3	ZINC000000017165	C1CN3CCC1C(c2ccsc2)=C3
C1CN3CCC1C(c2cccs2)=C3	ZINC000000017166	C1CN3CCC1C(c2cccs2)=C3
C1CN3CCC1C(c2ccoc2)=C3	ZINC000000017162	C1CN3CCC1C(c2ccoc2)=C3
O=C1CNC(=O)N1c2ccccc2	ZINC000000174344	O=C1CNC(=O)N1c2ccccc2
CN(C)CCNC(=O)c1ccc(\C=N\O)nc1	ZINC000000174346	c1ccncc1
O[C@H]2CN(C(=O)C1CCCCC1)CC(=O)N2CCc3ccccc3	ZINC000000033795	O=C2CN(C(=O)C1CCCCC1)CCN2CCc3ccccc3
Cc1ccccc1/C=C/C(N)=O	ZINC000000005707	c1ccccc1
COc4cc3c(C)nc2n(Cc1ccccc1)nc(C)c2c3cc4OC	ZINC000000187703	C(c1ccccc1)n3ncc4c2ccccc2cnc34
CS(=O)(=O)Nc1ccc(F)c([C@@H](O)CN)c1	ZINC000000005703	c1ccccc1
Cc2sc(=[N+]1CCCCC1)sc2C	ZINC000000164078	C2CC[N+](=c1sccs1)CC2
COc3cccc(Nc2nc(c1ccc(Cl)cc1)cs2)c3	ZINC000000060439	N(c1ccccc1)c3nc(c2ccccc2)cs3
CN1CCc2c(C1)[nH]c3ccc(C)cc23	ZINC000000215180	C1Cc2c(CN1)[nH]c3ccccc23
CCOC(=O)c3ccc(n2[nH]c(=O)\c(=C/c1ccccc1)c2=O)cc3	ZINC000000063895	O=c2[nH]n(c1ccccc1)c(=O)c2=Cc3ccccc3
NC(=O)[C@@H]2CCC[N@@](CCc1ccccc1)C2	ZINC000000278275	C2CCN(CCc1ccccc1)CC2
Clc1ncccc1NC(=O)\C=C\c2ccco2	ZINC000000027725	O=C(Nc1cccnc1)C=Cc2ccco2
Nc1cccc2nc[nH]c12	ZINC000000112552	c2ccc1[nH]cnc1c2
FC(F)(F)c2cnc(N1CCNCC1)c(Cl)c2	ZINC000000012103	C2CN(c1ccccn1)CCN2
O=C(N1CCNCC1)c2ccco2	ZINC000000236148	O=C(N1CCNCC1)c2ccco2
O=c2[nH]c(=O)c(=Cc1ccsc1)[nH]2	ZINC000000073054	O=c2[nH]c(=O)c(=Cc1ccsc1)[nH]2
COC(=O)c2ccc(OCc1ccc(Cl)cc1)cc2	ZINC000000033133	C(Oc1ccccc1)c2ccccc2
O=N(=O)c3ccc(C=c2c(=O)c1ccccc1c2=O)o3	ZINC000000033134	O=c2c(=Cc1ccco1)c(=O)c3ccccc23
Nc1ccc(C(F)(F)F)cc1	ZINC000000164442	c1ccccc1
Nc2nc(N)c1CCCc1n2	ZINC000000355522	C2Cc1cncnc1C2
C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc2ccccc2	ZINC000000422369	O=C(CSc1ncccn1)Nc2ccccc2
CN2CCC(N(C)Cc1ccc(N(=O)=O)s1)CC2	ZINC000000237437	C2CC(NCc1cccs1)CCN2
Cn2ccc(=O)n(Cc1ccoc1)c2=O	ZINC000000019214	O=c1cc[nH]c(=O)n1Cc2ccoc2
CC(C)(CO)c1cc(C(F)(F)F)n[nH]1	ZINC000000054176	c1cn[nH]c1
Clc2cccc3CN(C1=NCCN1)Cc23	ZINC000000006515	C3CN=C(N2Cc1ccccc1C2)N3
Cc2ccc1nsnc1c2NC(=O)Cc3ccccc3	ZINC000000097555	O=C(Cc1ccccc1)Nc2cccc3nsnc23
Nc2nc(c1ccc(N(=O)=O)cc1)cs2	ZINC000000039796	c2ccc(c1cscn1)cc2
CCn1c(=O)sc2cccc(Cl)c12	ZINC000000039797	O=c2[nH]c1ccccc1s2
Cc2nc1cc(Br)cnc1nc2C	ZINC000000039795	c2cnc1nccnc1c2
CCOC(=O)c1cc(CN)c(C)o1	ZINC000000376441	c1ccoc1
NCc2ccc(n1cccc1)cc2	ZINC000000159037	c2ccc(n1cccc1)cc2
Cn1c(=O)cc(CN)[nH]c1=O	ZINC000002572480	O=c1cc[nH]c(=O)[nH]1
FC(F)(F)c2cccc(NN=C(C#N)C(=N)N1CCCCC1)c2	ZINC000000060287	N=C(C=NNc1ccccc1)N2CCCCC2
COc1ccc(S(N)(=O)=O)cc1OC	ZINC000000043852	c1ccccc1
CC(C)[C@H](N)C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1	ZINC000000252099	C1CNCCN1
N#Cc1cccnc1N2CCNCC2	ZINC000000148271	C2CN(c1ccccn1)CCN2
COc2ccc1ncn(CCNC(C)=O)c1c2	ZINC000000008256	c2ccc1[nH]cnc1c2
CCN(CC)c1ccc(C=NNC(N)=NN(=O)=O)cc1	ZINC000000247755	c1ccccc1
CC(C)c2ccc(S(=O)(=O)CCc1ccc(C)[n+](C)c1)cc2	ZINC000000267932	O=S(=O)(CCc1cccnc1)c2ccccc2
CNC2(C#N)CCN(Cc1ccccc1)CC2	ZINC000000393836	C2CCN(Cc1ccccc1)CC2
OCCN(CCO)C2CCC(c1ccccc1)CC2	ZINC000000221002	C2CCC(c1ccccc1)CC2
CNC(=O)Nc1ccc(F)c(C)c1	ZINC000000039869	c1ccccc1
Cc2n(C)c1ccccc1[n+]2C	ZINC000000160388	c2ccc1[nH]cnc1c2
CCc2n(C)c1ccccc1[n+]2C	ZINC000000160389	c2ccc1[nH]cnc1c2
Cc2nc1cnccc1n2CCCl	ZINC000000039867	c2cc1[nH]cnc1cn2
Cc2ccc(c1cc(=O)[nH][nH]1)c(C)c2	ZINC000000036300	O=c2cc(c1ccccc1)[nH][nH]2
CC2=C(CC[N@]1CCC[C@@H](C(N)=O)C1)C(C)(C)CCC2	ZINC000000216184	C2CCN(CCC1=CCCCC1)CC2
C(Oc2ccc(\C=N\n1cnnc1)cc2)c3cccc4ccccc34	ZINC000000048583	C(Oc2ccc(C=Nn1cnnc1)cc2)c3cccc4ccccc34
O=N(=O)c1ccccc1CN2CCCC2	ZINC000000277813	C2CCN(Cc1ccccc1)C2
c2csc(c1nn[nH]n1)c2	ZINC000000120906	c2csc(c1nn[nH]n1)c2
Cc2cc(C)nc(SCC(=O)c1ccc(Br)cc1)n2	ZINC000000064871	O=C(CSc1ncccn1)c2ccccc2
COc2cc1nc(=S)n(CCN(C)C)c(N)c1cc2OC	ZINC000000166356	S=c2nc1ccccc1c[nH]2
COc3ccc(c2nc1cc(C)ccc1o2)cc3NC(=O)c4ccco4	ZINC000000191020	O=C(Nc3cccc(c2nc1ccccc1o2)c3)c4ccco4
C[C@@H](O)CNCc1sccc1C	ZINC000000378514	c1ccsc1
Cc2cc(c1cc(=O)[nH][nH]1)c(C)s2	ZINC000000094781	O=c2cc(c1ccsc1)[nH][nH]2
Clc2cc1nc[nH]c1cc2Cl	ZINC000000081227	c2ccc1[nH]cnc1c2
Cc1cc(C)c(\C=N/O)[nH]1	ZINC000000165713	c1cc[nH]c1
C[N@]1[C@H]3CC[C@@H]1CC(OC(=O)[C@@H](O)c2ccccc2)C3	ZINC000000056445	O=C(Cc1ccccc1)OC2CC3CCC(C2)N3
Cc5nc(Oc2ccc1ccccc1c2)c4c3CCCCc3sc4n5	ZINC000000081222	C1CCc4c(C1)sc5ncnc(Oc3ccc2ccccc2c3)c45
Cc3ccc(S(=O)(=O)Nc2ccc(Oc1cccnc1)nc2)cc3	ZINC000000092784	O=S(=O)(Nc2ccc(Oc1cccnc1)nc2)c3ccccc3
CN3CCN(c2nc1ccc(N(=O)=O)cc1s2)CC3	ZINC000000066588	C3CN(c2nc1ccccc1s2)CCN3
COc2ccc(OC)c3c(N1CCOCC1)cc(C(F)(F)F)nc23	ZINC000000092782	C3CN(c1ccnc2ccccc12)CCO3
CC(=O)Nc1ccc(S(=O)(=O)COC(C)=O)cc1	ZINC000000049956	c1ccccc1
COc2ccc1ccccc1c2\C=C(/C#N)C(N)=S	ZINC000000046356	c2ccc1ccccc1c2
CCc3ccc2sc1ccccc1n(C[C@H](C)CN(C)C)c2c3	ZINC000000000282	c3ccc2sc1ccccc1[nH]c2c3
C[C@@H]2C[C@H](OC(=O)[C@H](O)c1ccccc1)CC(C)(C)[N@]2C	ZINC000000000283	O=C(Cc1ccccc1)OC2CCNCC2
O=C2[C@@H](N1CCCCC1)CCN2c3ccccc3	ZINC000000000287	O=C2C(N1CCCCC1)CCN2c3ccccc3
CCOC(=O)CSc2nc1ccccc1c(=O)n2CC3CCCC3	ZINC000000292445	O=c2n(CC1CCCC1)cnc3ccccc23
CN(C)CCn2cnc1ncccc1c2=O	ZINC000000088423	O=c1[nH]cnc2ncccc12
C[N@@](CCc1ccccc1)Cc3c(C)n(C)n(c2ccccc2)c3=O	ZINC000000218983	O=c2c(CNCCc1ccccc1)c[nH]n2c3ccccc3
Cc1cc(C)c(N(=O)=O)c(C)c1C=O	ZINC000000042516	c1ccccc1
Cn3ccc(n2c(=O)c1ccccc1c2=O)n3	ZINC000000081958	O=c2n(c1cc[nH]n1)c(=O)c3ccccc23
C=CCN(CC=C)Cc1c[nH]c2ccccc12	ZINC000000110337	c2ccc1[nH]ccc1c2
Nc1cccc2cccnc12	ZINC000000105176	c2ccc1ncccc1c2
Cc2cc(=O)n(c1ccn(C)n1)c2=O	ZINC000000081954	O=c1ccc(=O)n1c2cc[nH]n2
COc4cc(C2N(c1ccccc1)CCN2c3ccccc3)ccc4O	ZINC000000043203	C3CN(c1ccccc1)C(c2ccccc2)N3c4ccccc4
C[C@@](N)(Cc1cccc(O)c1)C(O)=O	ZINC000000085987	c1ccccc1
C4CN=C(NC[C@@H]2c1ccccc1CSc3ccccc23)N4	ZINC000000346608	C4CN=C(NCC2c1ccccc1CSc3ccccc23)N4
CNS(=O)(=O)c1cnccc1N2CCN(C(C)C)CC2	ZINC000000481271	C2CN(c1ccncc1)CCN2
O=C1CCC(=O)N1c3cccc(C(=O)Nc2ccccn2)c3	ZINC000000051498	O=C1CCC(=O)N1c3cccc(C(=O)Nc2ccccn2)c3
CC(C)(C)C(=O)C[n+]1cn(N)cn1	ZINC000000298127	c1nnc[nH]1
CC4(C)Oc2ccc1ccc(=O)oc1c2[C@@H](N3CCCCC3)[C@@H]4O	ZINC000000293716	O=c4ccc3ccc2OCCC(N1CCCCC1)c2c3o4
Clc3ccc(OCc2nc(c1ccccn1)no2)c(Cl)c3	ZINC000000080685	C(Oc1ccccc1)c3nc(c2ccccn2)no3
CN(C)CCNc1ncnc2ccccc12	ZINC000000118541	c2ccc1ncncc1c2
O=N(=O)c4ccc3oc(c2ccc1OCCOc1c2)cc(=O)c3c4	ZINC000000049572	O=c3cc(c2ccc1OCCOc1c2)oc4ccccc34
CCc3cc2c(=O)n(Cc1cccc(Br)c1)cnc2s3	ZINC000000148870	O=c2n(Cc1ccccc1)cnc3sccc23
CC(C)[C@@](O)(C#CCN1CCCCCC1)c2ccccc2	ZINC000000198373	C2CCCN(CC#CCc1ccccc1)CC2
C1Cn2c(CN1)nc3ccccc23	ZINC000000236623	C1Cn2c(CN1)nc3ccccc23
NCC(=O)N1CCN(C(N)=O)CC1	ZINC000002528804	C1CNCCN1
O=c3n([C@H]1CCC[N@]2CCCC[C@@H]12)c(=O)c4ccccc34	ZINC000000049578	O=c3n(C1CCCN2CCCCC12)c(=O)c4ccccc34
O=C(NC[n+]1ccccc1)c2ccccc2	ZINC000000408574	O=C(NC[n+]1ccccc1)c2ccccc2
CN(C)C[C@@H]2Oc1ccccc1O[C@@]2(O)c3ccccc3	ZINC000000283835	C2Oc1ccccc1OC2c3ccccc3
O[C@@H](CNC1CCCCC1)c2ccccc2	ZINC000000157267	C2CCC(NCCc1ccccc1)CC2
CO[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c2ccccc2	ZINC000000039264	O=C(Cc1ccccc1)NCc2ccccc2
CN1CCc2c(N)cc(C)nc12	ZINC000000507372	C2Cc1cccnc1N2
OC2CCN(Cc1c(Cl)cccc1Cl)CC2	ZINC000000041515	C2CCN(Cc1ccccc1)CC2
CC(\C=C\c1ccccc1)=N\O	ZINC000000052606	c1ccccc1
Nc1ccccc1C(=O)N2CCCC2	ZINC000000106731	O=C(N1CCCC1)c2ccccc2
Cc2nnc3c(C)c1[nH][nH]c(C)c1cc23	ZINC000000003931	c2nnc3cc1[nH][nH]cc1cc23
CCn2c([C@@H](O)c1cc(OC)c(OC)c(OC)c1)nc3ccccc23	ZINC000000082137	C(c1ccccc1)c3nc2ccccc2[nH]3
O[C@@]2(c1ccncc1)C=C(C(F)(F)F)NN2C(=O)c3cccnc3	ZINC000000049751	O=C(N1NC=CC1c2ccncc2)c3cccnc3
C[C@@H]2CN(C1CCNCC1)C[C@@H](C)O2	ZINC000000299478	C2CC(N1CCOCC1)CCN2
COc1ccc(C[C@@H](C)N)cc1	ZINC000000403036	c1ccccc1
NC(=O)SCC(=O)Nc1ccc(Cl)cc1Cl	ZINC000000033302	c1ccccc1
C[N@]1CC[C@]25[C@H]3Oc4c(O)ccc(C[C@@H]1[C@@H]2C=C[C@H]3O)c45	ZINC000000403034	C5CC14C2CC=CC1C(Cc3cccc(O2)c34)N5
CC(C)CC[N@]1CCC[C@@H](C(N)=O)C1	ZINC000000394425	C1CCNCC1
Cc2nc1ccccn1c2C(=O)NC3CCCCC3	ZINC000000047301	O=C(NC1CCCCC1)c2cnc3ccccn23
NC(=N)c1csc2ccccc12	ZINC000000158717	c2ccc1sccc1c2
Cc1[nH]c(C=O)c(C)c1C	ZINC000000076515	c1cc[nH]c1
Cc3ccc(S(=O)(=O)N2CCc1ccccc1C2)cc3	ZINC000000029422	O=S(=O)(N2CCc1ccccc1C2)c3ccccc3
CCc2cc(CNc1cc(CC)c(C)[nH]c1=O)c(OC)nc2C	ZINC000000005395	O=c1[nH]cccc1NCc2cccnc2
CC(=O)Nc4ccc(c3cn2nc(c1ccc(C)cc1)sc2n3)cc4	ZINC000000046988	c4ccc(c3cn2nc(c1ccccc1)sc2n3)cc4
COc2ccc(c1ccc[nH]1)cc2	ZINC000000054761	c2ccc(c1ccc[nH]1)cc2
NC(=O)Nc2ccc(S(=O)(=O)c1ccc(N)cc1)cc2	ZINC000000000913	O=S(=O)(c1ccccc1)c2ccccc2
CN(C)CCOC(=O)c2c(C)nn3c1ccccc1n(C)c23	ZINC000000090524	c1ccc3c(c1)[nH]c2ccnn23
C[C@H](N)Cc1ccc(N(C)C)cc1C	ZINC000000000915	c1ccccc1
Cc1cc(CN)c(C(F)(F)F)o1	ZINC000000158512	c1ccoc1
NC(=O)c2cc1ccccc1oc2=O	ZINC000000050477	O=c2ccc1ccccc1o2
COC(=O)Cn1c(C)cc(C=O)c1C	ZINC000000009390	c1cc[nH]c1
Cc1cc(CN)c(C)o1	ZINC000000158519	c1ccoc1
Cc1c(O)c(=O)ccn1CC=C	ZINC000000004379	O=c1cc[nH]cc1
ONC(=O)C12CCC(CC1)C2	ZINC000000136305	C1CC2CCC1C2
CC2(C)CC(c1ccc(O)c(O)c1)=CC(C)(C)N2	ZINC000000058452	C2CC(c1ccccc1)=CCN2
CCCn2oc1CCNCCc1c2=O	ZINC000000004370	O=c2[nH]oc1CCNCCc12
COc3cc(c2nc1ccccn1c2N)ccc3O	ZINC000000058459	c3ccc(c2cn1ccccc1n2)cc3
Oc3cc2[C@H](c1ccccc1)CNCCc2c(Cl)c3O	ZINC000000005579	C3Cc1ccccc1C(c2ccccc2)CN3
Cc2ccc(C)c(n1c(=O)ccc1=O)c2	ZINC000000098477	O=c1ccc(=O)n1c2ccccc2
OCCN(CCO)Cc1ccc(Cl)cc1	ZINC000000280310	c1ccccc1
Cc4ccc3[nH]c2c(CCc1nonc12)c3c4	ZINC000000102106	C3Cc1c([nH]c2ccccc12)c4nonc34
Nc3nc(c1ccccc1)nc(n2cccc2)n3	ZINC000000054543	c3ccc(c2ncnc(n1cccc1)n2)cc3
O=c3[nH]c2nc(c1ccccc1)cn2[nH]c3=O	ZINC000000053261	O=c3[nH]c2nc(c1ccccc1)cn2[nH]c3=O
CCOC(=O)c1ccc(N(C[C@@H](C)O)C[C@@H](C)O)cc1	ZINC000000000704	c1ccccc1
CCc3c(c1ccccc1)nc2ccccc2c3C(=O)N4CCOCC4	ZINC000000217502	O=C(N1CCOCC1)c3cc(c2ccccc2)nc4ccccc34
CN(C)CC[C@H]2CN(C)C(=S)c1cccnc1O2	ZINC000000000700	S=C1NCCOc2ncccc12
C[C@@H]3[C@H](N1CCCCC1)C(=O)N(c2ccc(C)cc2)C3=O	ZINC000000102241	O=C2CC(N1CCCCC1)C(=O)N2c3ccccc3
COc2c1CNCCn1c3ccc(F)cc23	ZINC000000017967	C1Cn2c(CN1)cc3ccccc23
Fc2cccc3O[C@@H]1CNC[C@H]1Oc23	ZINC000000001471	C2NCC3Oc1ccccc1OC23
Cc2ccc(NC(=O)CCN1CCCC1)cc2	ZINC000000176406	O=C(CCN1CCCC1)Nc2ccccc2
Cc3cccc(Cc2cnc(NC(=O)\C=C\c1ccccc1C)s2)c3	ZINC000000134198	O=C(Nc2ncc(Cc1ccccc1)s2)C=Cc3ccccc3
CN(Cc1ccccc1)C(=O)[C@@H]2CCCc3nc[nH]c23	ZINC000000027173	O=C(NCc1ccccc1)C2CCCc3nc[nH]c23
Cc3sc2[nH]c(=O)n(c1ccccc1)c(=O)c2c3C	ZINC000000052908	O=c2[nH]c1sccc1c(=O)n2c3ccccc3
O=C(Cc1ccccc1)NCc2ccco2	ZINC000000037558	O=C(Cc1ccccc1)NCc2ccco2
NC(=O)Cn3nc(c1ccc(Cl)cc1)c2ccccc2c3=O	ZINC000000098780	O=c2[nH]nc(c1ccccc1)c3ccccc23
Nc1ccc(Cl)cc1C#N	ZINC000000388439	c1ccccc1
CN3CCN(c1ncnc2ccc(Br)cc12)CC3	ZINC000000122260	C3CN(c1ncnc2ccccc12)CCN3
O[C@H](CN1CCCC1=O)CS(=O)(=O)c2ccc(Cl)cc2	ZINC000000074859	O=C1CCCN1CCCS(=O)(=O)c2ccccc2
C4Oc3ccc(C=Nc2ccc1n[nH]cc1c2)cc3O4	ZINC000000028480	C4Oc3ccc(C=Nc2ccc1n[nH]cc1c2)cc3O4
C[N@]3CCc2[nH]c1cc(C)ccc1c2C3	ZINC000000055147	C3Cc2[nH]c1ccccc1c2CN3
Nc1sc(C#N)c(N)c1C#N	ZINC000000055146	c1ccsc1
CC(C)(C)C(=S)NN	ZINC000000157865	nonring
O=c3[nH]c(=O)c2ncc(c1ccccc1)nc2[nH]3	ZINC000000331380	O=c3[nH]c(=O)c2ncc(c1ccccc1)nc2[nH]3
CC(=O)c1sc(N)nc1C	ZINC000000122671	c1cscn1
Cn3nc(C(=O)NCC12CCCN1CCC2)c4ccccc34	ZINC000000007131	O=C(NCC12CCCN1CCC2)c3n[nH]c4ccccc34
C[N@]1[C@H]3CC[C@@H]1CC(OC(=O)CCN2CCOCC2)C3	ZINC000000235628	O=C(CCN1CCOCC1)OC2CC3CCC(C2)N3
O[C@]12CCC[C@H](CC1)C2	ZINC000002145599	C1CC2CCC(C1)C2
COc2cc1nc(C)[nH]c1cc2OC	ZINC000000246411	c2ccc1[nH]cnc1c2
COc3ccc(S(=O)(=O)Nc2ccc1C(=O)OCc1c2)cc3OC	ZINC000000106900	O=C2OCc3cc(NS(=O)(=O)c1ccccc1)ccc23
COc3ccc(c2noc(COc1ccc(Cl)cc1C)n2)cc3	ZINC000000099431	C(Oc1ccccc1)c3nc(c2ccccc2)no3
NC(=O)c4c(NC(=O)[C@H]1C[C@H]1c2ccccc2)sc3CCCCc34	ZINC000000106905	O=C(Nc2cc1CCCCc1s2)C3CC3c4ccccc4
COc2cccc(C(=O)NC1=NCCS1)c2	ZINC000000030021	O=C(NC1=NCCS1)c2ccccc2
COc2cc(C(=O)Nc1ccc(C(N)=O)cc1)c(N(=O)=O)cc2OC	ZINC000000184097	O=C(Nc1ccccc1)c2ccccc2
COc2ccc1sc(C)[n+](C)c1c2	ZINC000000044008	c2ccc1scnc1c2
Cc2noc(COc1ccccc1OC[C@H](O)CNC(C)(C)C)n2	ZINC000000006849	C(Oc1ccccc1)c2ncno2
Cc2ccc(S(=O)(=O)CC(=O)NC1CC1)cc2	ZINC000000038223	O=C(CS(=O)(=O)c1ccccc1)NC2CC2
Fc2cnc(N1CCOCC1)nc2NCc3ccccc3	ZINC000000038222	C3CN(c2nccc(NCc1ccccc1)n2)CCO3
CN1N=C(C)CCC1=O	ZINC000000152910	O=C1CCC=NN1
CSc2cccc(NC(=O)CCSc1ccc(Cl)cc1)c2	ZINC000000038227	O=C(CCSc1ccccc1)Nc2ccccc2
CN(C)C[C@@H]1CSCC[C@@]1(O)c2ccccc2	ZINC000000347728	C2CC(c1ccccc1)CCS2
FC(F)(F)c5cccc(N4CCN(CCc2nnc3[C@H]1CCC[C@H]1Cn23)CC4)c5	ZINC000000537940	C5CC4Cn3c(CCN2CCN(c1ccccc1)CC2)nnc3C4C5
Fc2ccc(NC(=O)CC(=O)Nc1ccc(F)cc1)cc2	ZINC000000041745	O=C(CC(=O)Nc1ccccc1)Nc2ccccc2
COc2ccc(CNC(=O)N1CCOCC1)cc2	ZINC000000030247	O=C(NCc1ccccc1)N2CCOCC2
CN(C(C)=O)c1cccnc1	ZINC000000081563	c1ccncc1
C[N@]1CCC[C@H]1CCSc2ccncc2	ZINC000000023851	C2CNC(CCSc1ccncc1)C2
c2ccc1nocc1c2	ZINC000000154777	c2ccc1nocc1c2
CN(C)CCN(Cc1cccs1)C(=S)Nc2ccc(C)c(C)c2	ZINC000000212619	S=C(NCc1cccs1)Nc2ccccc2
COc2ccc(CC(=O)N1CCCC1)cc2	ZINC000000029160	O=C(Cc1ccccc1)N2CCCC2
C[C@@H](N)C(=O)NC2CCN(Cc1ccccc1)CC2	ZINC000000252324	C2CCN(Cc1ccccc1)CC2
Clc2cccc3CC[C@]1(COC(=N)N1)Cc23	ZINC000000006263	N=C3NC2(CCc1ccccc1C2)CO3
C2C[C@@]1(CN=CN1)Cc3ccccc23	ZINC000000006264	C2CC1(CN=CN1)Cc3ccccc23
Brc3cncc(N1CCN2CCC1CC2)c3	ZINC000000025861	C1CN3CCC1N(c2cccnc2)CC3
C[C@@H](C(=O)Nc1ccccc1C#N)n3c(=O)c2ccccc2c3=O	ZINC000000168011	O=C(Cn2c(=O)c1ccccc1c2=O)Nc3ccccc3
NC(=O)c1cccc(C(F)(F)F)n1	ZINC000000126991	c1ccncc1
Oc1ccc(Cl)cc1C2=CC(C(F)(F)C(F)F)=NCCN2	ZINC000000060986	C2CN=CC=C(c1ccccc1)N2
O[C@H](CN1CCCCC1)CN(c2ccccc2)c3ccccc3	ZINC000000126997	C3CCN(CCCN(c1ccccc1)c2ccccc2)CC3
Cc1nc(C)c(CC=C)c(N)n1	ZINC000000343850	c1cncnc1
CCc2nnc(NC(=O)CSc1nc(C)cc(C)c1C#N)s2	ZINC000000053461	O=C(CSc1ccccn1)Nc2nncs2
C5CN(c3ncnc4scc(c2ccc1ccccc1c2)c34)CCO5	ZINC000000066631	C5CN(c3ncnc4scc(c2ccc1ccccc1c2)c34)CCO5
S=C(NC1CC1)N4CCC[N@@](Cc2cccc3ccccc23)CC4	ZINC000000066637	S=C(NC1CC1)N4CCCN(Cc2cccc3ccccc23)CC4
NC[C@@H](O)COCc1ccco1	ZINC000000249239	c1ccoc1
CCOC(=O)\C=C\[n+]1cccc(C)c1	ZINC000000268326	c1ccncc1
CC[n+]1ccc(C)c(CCOC(C)=O)c1	ZINC000000227215	c1ccncc1
Cc1ccc(NN)cc1C	ZINC000000153203	c1ccccc1
NCc2csc(c1ccccc1)n2	ZINC000000158876	c2ccc(c1nccs1)cc2
Clc3ccc(CN2CCC(C(=O)N/N=C/c1ccco1)CC2)cc3	ZINC000000031047	O=C(NN=Cc1ccco1)C3CCN(Cc2ccccc2)CC3
Clc1cccc(Cl)c1N(CC=C)C2=NCCN2	ZINC000000003723	C2CN=C(Nc1ccccc1)N2
C[C@H](N)CN1CCc2ccc(Br)cc12	ZINC000000003233	C2Cc1ccccc1N2
Cc1csc2nc(C)c(CO)n12	ZINC000000015471	c2cn1ccsc1n2
CCN(CC)CC(=O)Nc2scc3c1ccccc1oc(=O)c23	ZINC000000131405	O=c2oc1ccccc1c3cscc23
Nc1cccc(O)c1	ZINC000000157527	c1ccccc1
COc1cccc(CCN)c1	ZINC000000391187	c1ccccc1
FC(F)(F)c2ccc1nccnc1c2	ZINC000000071538	c2ccc1nccnc1c2
COc1cc(N)cc(C(F)(F)F)c1	ZINC000000119848	c1ccccc1
COC(=O)c/1c(C)n(CC(C)C)c(=O)c\1=C/c2cccc(OC)c2O	ZINC000000113225	O=c1[nH]ccc1=Cc2ccccc2
CC(=O)O/N=C/c1n[nH]cc1Br	ZINC000000077948	c1cn[nH]c1
COc3ccc(C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@@H]12)c(OC)c3	ZINC000000526337	O=C(OCC1CCCN2CCCCC12)c3ccccc3
CCOc1ccccc1CN3CCC(C(=O)N2CCCC2)CC3	ZINC000000236163	O=C(C2CCN(Cc1ccccc1)CC2)N3CCCC3
CC(=O)Nc1c(F)cccc1F	ZINC000000138473	c1ccccc1
CCn1c(C)nc2cc(O)ccc12	ZINC000000226164	c2ccc1[nH]cnc1c2
O=C(Cc1cccc2ccccc12)Nc4sc3CCCCc3c4C#N	ZINC000000146273	O=C(Cc1cccc2ccccc12)Nc4cc3CCCCc3s4
Cc2ccc(S(=O)(=O)Nc1ncccn1)cc2	ZINC000000033113	O=S(=O)(Nc1ncccn1)c2ccccc2
Nc1cccnc1Cl	ZINC000000164466	c1ccncc1
Cc3[nH]nc4OC(N)=C(C#N)[C@H](c2ccc1ccccc1c2)c34	ZINC000000038827	O3C=CC(c2ccc1ccccc1c2)c4c[nH]nc34
Oc1ccc(F)cc1	ZINC000000164463	c1ccccc1
C[C@@H](N)Cn1nc(C)c2ccc(O)cc12	ZINC000000009098	c2ccc1[nH]ncc1c2
CSc1nc(C)cc(SC(N)=N)n1	ZINC000000393729	c1cncnc1
Cc3ccc(\C=c2\nc(c1ccc(Cl)c(N(=O)=O)c1)oc2=O)o3	ZINC000000027705	O=c2oc(c1ccccc1)nc2=Cc3ccco3
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c3ccc(N(=O)=O)cc3	ZINC000000036544	O=C(NC1CC2CCC1C2)c3ccccc3
Nc3nnc(SCC(=O)c1cccc2ccccc12)s3	ZINC000000036097	O=C(CSc1nncs1)c2cccc3ccccc23
C[C@@H](N)Cc2cn(C)c3ccc1OCCCc1c23	ZINC000000009097	C3COc2ccc1[nH]ccc1c2C3
Cc2[nH]c1ccc(F)cc1c2CCN	ZINC000000140728	c2ccc1[nH]ccc1c2
O=C(NC1CCCCC1)c2ccco2	ZINC000000068799	O=C(NC1CCCCC1)c2ccco2
COc3cc([C@@H]1C(C(N)=O)=C(C)N=c2nc[nH]n12)cc(OC)c3OC	ZINC000000071394	C3=CC(c1ccccc1)n2[nH]cnc2=N3
COC(OC)c1c(C(=O)OC)cnn1C(=O)Nc2c(C)cccc2C	ZINC000000124044	O=C(Nc1ccccc1)n2cccn2
COc2ccc([C@@H]1NCCS1)cc2	ZINC000000243768	C2CSC(c1ccccc1)N2
OC[C@H]1CCC[N@]2CCCC[C@@H]12	ZINC000000490789	C2CCN1CCCCC1C2
COc3ccc(\C=C\Cc2cc1OCOc1cc2O)cc3	ZINC000000043913	C3Oc2ccc(CC=Cc1ccccc1)cc2O3
CN4CCC(N(C)c2ncnc3sc1CCCCc1c23)CC4	ZINC000000098649	C1CCc3c(C1)sc4ncnc(NC2CCNCC2)c34
CCC[N@@](CCO)Cc1ccc(N(=O)=O)cc1	ZINC000000215708	c1ccccc1
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c2ccc(F)cc2	ZINC000000038793	O2C=CC(c1ccccc1)C=C2
COc2ccc(CNCc1ccccc1)cc2OC	ZINC000000174643	C(NCc1ccccc1)c2ccccc2
CC(C)(C)NC(=O)C1CC1	ZINC000000392985	C1CC1
CN2CCC(NCc1ccncc1)CC2	ZINC000000280434	C2CC(NCc1ccncc1)CCN2
CNC(=O)C(/NC(=O)c1ccccc1)=C/c2ccco2	ZINC000000047022	O=C(NC=Cc1ccco1)c2ccccc2
COC(=O)c1cc(C[N+](C)(C)C[C@@H](O)CO)c(Cl)cc1Cl	ZINC000000305674	c1ccccc1
COc1ccc(Cl)c2[C@@H](N(C)C)CCCc12	ZINC000000000426	C2CCc1ccccc1C2
Cc3cn2c(nc1n(C)c(=O)[nH]c(=O)c12)[nH]3	ZINC000000039840	O=c3[nH]c(=O)c2c(nc1[nH]ccn12)[nH]3
NNc1ncnc2ccc(Cl)cc12	ZINC000000397005	c2ccc1ncncc1c2
Fc1ccccc1NC(=O)Cc2cccs2	ZINC000000030499	O=C(Cc1cccs1)Nc2ccccc2
Fc2cccc(NC1=NCCCC(=O)S1)c2	ZINC000000090427	O=C2CCCN=C(Nc1ccccc1)S2
O=C1OCc2ccccc12	ZINC000000154698	O=C1OCc2ccccc12
C4CN(C2C1CC3CC(C1)CC2C3)CCO4	ZINC000000242389	C4CN(C2C1CC3CC(C1)CC2C3)CCO4
Cc1cccc[n+]1CC#N	ZINC000000392674	c1ccncc1
N=c2ccn(Cc1ccccc1)cc2	ZINC000000059391	N=c2ccn(Cc1ccccc1)cc2
CCOC(=O)C(=NNc2ccc1[nH]c(C)nc1c2)C#N	ZINC000000352450	c2ccc1[nH]cnc1c2
CCOC(=O)c1c(C)[nH]c2cc(Br)c(OC(C)=O)cc12	ZINC000000054958	c2ccc1[nH]ccc1c2
COc3cc([C@@H]1NC(=O)N(C)C2=C1C(=O)CCC2)ccc3O	ZINC000000067203	O=C3NC(c1ccccc1)C2=C(CCCC2=O)N3
C[n+]2ccc(c1ccccc1)nc2	ZINC000000331321	c2ccc(c1ccncn1)cc2
CC(=O)Nc3cccc(c2cc(c1ccc(Cl)cc1Cl)no2)c3	ZINC000000076379	c3ccc(c2cc(c1ccccc1)on2)cc3
CNC(=S)n2nc(c1ccc(Cl)cc1)nc2N	ZINC000000006459	c2ccc(c1nc[nH]n1)cc2
Nc1c(F)cc(F)cc1F	ZINC000000406986	c1ccccc1
C[C@@H](O)\C=C\c1cccc[n+]1C	ZINC000000161855	c1ccncc1
Clc2cn(=O)c1[nH]c(=O)c(=O)[nH]c1c2	ZINC000000006450	O=c2[nH]c1cccn(=O)c1[nH]c2=O
COC(=O)c2cc(c1ccccc1OC)on2	ZINC000000037052	c2ccc(c1ccno1)cc2
CC(=O)C2=C(N)C(=O)N(C1CCCCC1)C2	ZINC000000040799	O=C1C=CCN1C2CCCCC2
COc2ccc(O)c(C=Nc1nnc[nH]1)c2	ZINC000000040064	C(=Nc1nnc[nH]1)c2ccccc2
COC(=O)[C@@H]2CN[C@H]1[C@H](CNC1=O)C2	ZINC000584880958	O=C2NCC1CCCNC12
Cn2c(=O)[nH]c(=O)c3nc(N1CCCCCC1)[nH]c23	ZINC000000040792	O=c3[nH]c(=O)c2nc(N1CCCCCC1)[nH]c2[nH]3
C[n+]1cccc(C(N)=O)c1	ZINC000000155368	c1ccncc1
CN2CCN(Cc1ccc(N(=O)=O)s1)CC2	ZINC000000040791	C2CN(Cc1cccs1)CCN2
CC(=O)O/N=C(/C)c1ccccc1	ZINC000000050709	c1ccccc1
COc1ccc(\C=N\NC(N)=S)cc1O	ZINC000000088401	c1ccccc1
NNc1ncc(Cl)cc1Cl	ZINC000000269666	c1ccncc1
N[C@@H](Cc1ccccc1)c3ccc2OCCOc2c3	ZINC000000042796	C3COc2cc(CCc1ccccc1)ccc2O3
CCN(CC)CCn3cnc2c1cc(OC)c(OC)cc1[nH]c2c3=O	ZINC000000487070	O=c2[nH]cnc3c1ccccc1[nH]c23
CN(C(=O)Cc1cccs1)C3(C(=O)NC2CCCC2)CCCCC3	ZINC000000246605	O=C(Cc1cccs1)NC3(C(=O)NC2CCCC2)CCCCC3
C[C@]13CC2(N)CC(O)(C1)C[C@@](C)(C2)C3	ZINC000000246606	C1C2CC3CC1CC(C2)C3
O[C@@H](C[n+]1ccccc1)c2ccccc2	ZINC000000337498	C(C[n+]1ccccc1)c2ccccc2
CCc2ccc1scc(CCNC(C)=O)c1c2	ZINC000000006676	c2ccc1sccc1c2
O=C(COc2ccc(\C=c1\[nH]c(=O)[nH]c1=O)cc2)Nc3ccccc3	ZINC000000072272	O=C(COc2ccc(C=c1[nH]c(=O)[nH]c1=O)cc2)Nc3ccccc3
C[C@H]1CC(C)=C[C@H](C)[C@@H]1COC(=O)CN2CCCC2	ZINC000000171958	O=C(CN1CCCC1)OCC2CCC=CC2
COc2cc(C(O)=O)nc(c1cscn1)c2OC	ZINC000000023639	c2ccc(c1cscn1)nc2
COc1ccccc1NC(=O)c3c(N)sc2C[N@](C)CCc23	ZINC000000235455	O=C(Nc1ccccc1)c3csc2CNCCc23
Cc2nnc(C(=O)c1ccccc1)o2	ZINC000000032426	O=C(c1ccccc1)c2nnco2
CCCc3ccc2c(N)c(C(=O)c1ccc(Cl)cc1)sc2n3	ZINC000000084230	O=C(c1ccccc1)c3cc2cccnc2s3
NOCC1CC(N)C1	ZINC000000006188	C1CCC1
CCN(CC)C(=O)[C@@H]2CCC[N@@](C/C=C/c1ccccc1)C2	ZINC000000214548	C2CCN(CC=Cc1ccccc1)CC2
CC[C@H](C)[C@H](N)C(=O)Nc1ccncc1	ZINC000000025491	c1ccncc1
COc4ccc3nc2n(SCc1c(C)c(OC)c(C)c[n+]12)c3c4	ZINC000000000728	C3Sn1c(nc2ccccc12)[n+]4ccccc34
NC(CO)(CO)COCc1ccccc1	ZINC000000122448	c1ccccc1
Nc2cccc(Nc1ccccc1)c2	ZINC000000052622	N(c1ccccc1)c2ccccc2
O=C1CC[C@@H]3N1C(=O)[C@@H]2CCC(=O)N2C3=O	ZINC000000016119	O=C1CCC3N1C(=O)C2CCC(=O)N2C3=O
O=C4C[C@H](N3CCC(C2CCN([C@H]1CC(=O)NC1=O)CC2)CC3)C(=O)N4	ZINC000012343592	O=C4CC(N3CCC(C2CCN(C1CC(=O)NC1=O)CC2)CC3)C(=O)N4
O=c4[nH]cc(n3c(=O)c1ccccc1c2ccccc2c3=O)c(=O)[nH]4	ZINC000000049510	O=c4[nH]cc(n3c(=O)c1ccccc1c2ccccc2c3=O)c(=O)[nH]4
Cc2nc(c1n[nH]c(C)n1)n[nH]2	ZINC000000121187	c2nc(c1nc[nH]n1)n[nH]2
Cc3ccc(C(=O)CSc2nc(c1cccnc1)ccc2C#N)cc3	ZINC000000050532	O=C(CSc2cccc(c1cccnc1)n2)c3ccccc3
CC(C)CNS(=O)(=O)c1ccccc1	ZINC000000029391	c1ccccc1
O=S(=O)(N(Cc1ccccc1)c2ccccn2)c3ccccc3	ZINC000000029396	O=S(=O)(N(Cc1ccccc1)c2ccccn2)c3ccccc3
CCN3CCN(c2oc(COc1ccccc1)nc2C#N)CC3	ZINC000000108334	C3CN(c2cnc(COc1ccccc1)o2)CCN3
CN1CCCN=C1\C=C\c2cccs2	ZINC000000097996	C2CNC(C=Cc1cccs1)=NC2
NC(=N)NN=Cc1ccc(O)cc1	ZINC000000240526	c1ccccc1
Cc2sc1ccccc1[n+]2C	ZINC000000101129	c2ccc1scnc1c2
Cc2nc1cc(N)ccc1n2CCO	ZINC000000366336	c2ccc1[nH]cnc1c2
O=C(C2c1ccccc1Oc3ccccc23)N4CCOCC4	ZINC000000023096	O=C(C2c1ccccc1Oc3ccccc23)N4CCOCC4
CN4CCN(c2nc(C)nc3n(CCc1ccccc1)ncc23)CC4	ZINC000000082118	C4CN(c2ncnc3n(CCc1ccccc1)ncc23)CCN4
CN(CC#C)C(=O)C2c1ccccc1Oc3ccccc23	ZINC000000023098	C2c1ccccc1Oc3ccccc23
Nc3cccc(C2=N[C@@H]1C=CC=C[C@@H]1N=C2)c3	ZINC000000169288	C3=CC2N=CC(c1ccccc1)=NC2C=C3
Cc2ccc(C(=O)N1CCCC1)cc2	ZINC000000123313	O=C(N1CCCC1)c2ccccc2
S=c1[nH]ccn1Cc2ccco2	ZINC000000024727	S=c1[nH]ccn1Cc2ccco2
Cc3ccc(c2nc1ccccc1o2)cc3NC(=O)c4ccc(F)cc4	ZINC000000194119	O=C(Nc3cccc(c2nc1ccccc1o2)c3)c4ccccc4
Oc5ccc(\C=N\N2C(=O)[C@H]1[C@@H]3C=C[C@H]([C@H]1C2=O)C34CC4)cc5	ZINC000000064303	O=C2C1C4C=CC(C1C(=O)N2N=Cc3ccccc3)C45CC5
COc2cccc(CN1CCSCC1)c2	ZINC000000238299	C2CN(Cc1ccccc1)CCS2
CC[n+]1ccnc(Cl)c1	ZINC000000330929	c1cnccn1
Nc1ccc(Cl)cc1NC(=O)Nc2cccc(C(F)(F)F)c2	ZINC000000022947	O=C(Nc1ccccc1)Nc2ccccc2
CCC[N@@](CCO)Cc1ccc(N(C)C)cc1	ZINC000000277751	c1ccccc1
Fc2cccc3CN(N=C1NCCN1)Cc23	ZINC000000010612	C3CNC(=NN2Cc1ccccc1C2)N3
Cc1ccccc1C(=O)Nc3nc2ccc(Br)cc2s3	ZINC000000190940	O=C(Nc2nc1ccccc1s2)c3ccccc3
O[C@@H]1CCN[C@H]2CCCC[C@@H]12	ZINC000000128696	C2CCC1NCCCC1C2
CCN(CC)C[C@@H](O)COc1cc(C(F)(F)F)ccn1	ZINC000000117271	c1ccncc1
CNC(=O)Nc1ccc(F)cc1Cl	ZINC000000039673	c1ccccc1
CCC[C@@H](C)C(=O)Nc1cc(C)ccn1	ZINC000000030568	c1ccncc1
O=N(=O)c2cc1OCOc1cc2C=c3[nH]c(=S)[nH]c3=O	ZINC000000076571	O=c1[nH]c(=S)[nH]c1=Cc3ccc2OCOc2c3
Cc3ccc(OCc2nn1c(=O)c(C)nnc1s2)cc3	ZINC000000023890	O=c2cnnc3sc(COc1ccccc1)nn23
CN[C@@H](C)C(=O)c1ccccc1	ZINC000000403054	c1ccccc1
CNC(=O)Oc2cccc1CC(C)(C)Oc12	ZINC000000056963	C2Cc1ccccc1O2
Fc1cccc(F)c1C(=O)Nc3cc2cc(N(=O)=O)ccc2oc3=O	ZINC000000151053	O=C(Nc2cc1ccccc1oc2=O)c3ccccc3
Cc1cccn2ccnc12	ZINC000000170147	c2ccn1ccnc1c2
CCCc2ncc(C[n+]1ccccc1C)c(N)n2	ZINC000000000934	C(c1cncnc1)[n+]2ccccc2
Nc2cccc(n1ccccc1=O)c2	ZINC000000000933	O=c1ccccn1c2ccccc2
Nc3nc2ccc(C(=O)N1CCOCC1)cc2s3	ZINC000000061368	O=C(N1CCOCC1)c3ccc2ncsc2c3
COC(=O)C(=C/c1cccn1C)/C#N	ZINC000000061369	c1cc[nH]c1
Nc1cc(F)c(F)c(F)c1F	ZINC000000388049	c1ccccc1
CC(=C)CS(=O)(=O)c1ccccc1	ZINC000000050498	c1ccccc1
COc2cccc([C@@]1(O)CCCC[C@@H]1CN(C)C)c2	ZINC000000000853	C2CCC(c1ccccc1)CC2
COc2cc(\C=C1/CCCC1=O)ccc2OCc3ccccc3	ZINC000000034801	O=C1CCCC1=Cc3ccc(OCc2ccccc2)cc3
Oc3ccc(C[C@@H]1NCCc2cc(O)c(O)cc12)cc3	ZINC000000000857	C3Cc1ccccc1C(Cc2ccccc2)N3
COc2ccc(C[C@H](C)NC[C@@H](O)c1ccc(O)c(NC=O)c1)cc2	ZINC000000000856	C(Cc1ccccc1)NCCc2ccccc2
CC(C)=CCS(=O)(=O)c1ccccc1	ZINC000000050497	c1ccccc1
C2C[C@H](COc1cccnc1)N2	ZINC000000018377	C2CC(COc1cccnc1)N2
CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1	ZINC000000001189	c1ccccc1
CC2=NN(C(=O)CSc1ccccn1)[C@@](C)(O)C2	ZINC000000058473	O=C(CSc1ccccn1)N2CCC=N2
CC1(C)NC(=N)NC(=N)N1OCc2ccc(Cl)c(Cl)c2	ZINC000000001180	N=C2NCN(OCc1ccccc1)C(=N)N2
CN(C)CCCn2c(=O)n(c1ccccc1)c3cc(Cl)ccc23	ZINC000000001182	O=c2[nH]c1ccccc1n2c3ccccc3
Clc3ccc(Cl)c(S(=O)(=O)n1cnc2ccccc12)c3	ZINC000000051410	O=S(=O)(c1ccccc1)n2cnc3ccccc23
Oc1ccccc1N3C(=O)[C@@H]2CC=C(Cl)C[C@H]2C3=O	ZINC000000110676	O=C2C1CC=CCC1C(=O)N2c3ccccc3
CN(/N=C/c1cccn1C)C2=NCCN2	ZINC000000255691	C2CN=C(NN=Cc1ccc[nH]1)N2
Fc5ccc([C@@H]1C4=C(N=c2nc[nH]n12)c3ccccc3OC4)cc5	ZINC000000390138	C2Oc1ccccc1C5=C2C(c3ccccc3)n4[nH]cnc4=N5
N[C@@H](Cc1c[nH]c2cc(Cl)cc(Cl)c12)C(O)=O	ZINC000000005512	c2ccc1[nH]ccc1c2
OC(=O)c1ncccc1C(=O)c2ccccc2	ZINC000000135598	O=C(c1ccccc1)c2cccnc2
O[C@@]3(c1ccccc1)C2CCN(CC2)C3=C	ZINC000000260938	C=C2C(c1ccccc1)C3CCN2CC3
CCN(CC)C(=O)[C@@H]1CCCNC1	ZINC000000155113	C1CCNCC1
Clc1cc(=O)cc(Cl)c1=O	ZINC000000155115	O=c1ccc(=O)cc1
Brc2csc(Cc1c[nH]cn1)c2	ZINC000000022768	C(c1c[nH]cn1)c2cccs2
OC2CCN(C[C@H]1CCC=CC1)CC2	ZINC000000183295	C2CCN(CC1CCC=CC1)CC2
C[C@H](C(O)=O)c2ccc(\C=C1/CCCCC1=O)cc2	ZINC000000000589	O=C1CCCCC1=Cc2ccccc2
Cc2csc(Cc1c[nH]cn1)c2C	ZINC000000022760	C(c1c[nH]cn1)c2cccs2
C4CCN(CCOc2nnc(c1ccccc1)c3ccccc23)CC4	ZINC000000532384	C4CCN(CCOc2nnc(c1ccccc1)c3ccccc23)CC4
O[C@@H](COc1ccccc1Br)Cn2cnc3ccccc23	ZINC000000253592	C(COc1ccccc1)Cn2cnc3ccccc23
CN3CCN(c2nc(c1ccco1)cc(C(F)(F)F)n2)CC3	ZINC000000213243	C3CN(c2nccc(c1ccco1)n2)CCN3
COc2cc(NC(=O)CCN1CCCCC1)cc(OC)c2	ZINC000000176426	O=C(CCN1CCCCC1)Nc2ccccc2
CC3(C)C(c1ccccc1)[N+](=O)[C@@H](c2cccnc2)N3O	ZINC000000437326	O=[N+]2C(c1ccccc1)CNC2c3cccnc3
C3CN=C(Nc2ccc1nccnc1c2)N3	ZINC000000014042	C3CN=C(Nc2ccc1nccnc1c2)N3
FC(F)(F)c1ccccc1S(=O)(=O)NNC(=N)c2ccccn2	ZINC000000105923	N=C(NNS(=O)(=O)c1ccccc1)c2ccccn2
COC(=O)C3[C@@H](c1c[nH]c2ccccc12)[C@@H](C(=O)OC)O[N+]3=O	ZINC000000192327	O=[N+]3CC(c1c[nH]c2ccccc12)CO3
Clc2ccc(CC(=O)Nc1ccc(CC#N)cc1)cc2	ZINC000000037204	O=C(Cc1ccccc1)Nc2ccccc2
Nc2nc1c(Cl)c(Cl)ccc1s2	ZINC000000026449	c2ccc1scnc1c2
Clc1ccccc1OCC(=O)Nc2ccc(CC#N)cc2	ZINC000000037203	O=C(COc1ccccc1)Nc2ccccc2
CC(C)(C)NC[C@H](O)c1cc(Br)no1	ZINC000000000098	c1cnoc1
Cc1cc(=O)oc2cc(N)ccc12	ZINC000000057949	O=c2ccc1ccccc1o2
OCc1ccccc1CNC2CCCCC2	ZINC000000064936	C2CCC(NCc1ccccc1)CC2
CCOC(=O)CSc2nnc(c1cc(Cl)nc(Cl)c1)n2C	ZINC000000166702	c2cc(c1nnc[nH]1)ccn2
Oc1ccccc1NC(=O)c2ccccc2	ZINC000000064939	O=C(Nc1ccccc1)c2ccccc2
CCOC(=O)c2ccc1[n+](CC=C)c(C)n(CC)c1c2	ZINC000000243454	c2ccc1[nH]cnc1c2
CN1C(=O)COc2c1cc(Cl)cc2C(=O)N[C@H]3CN4CCC3CC4	ZINC000000004132	O=C1COc2c(N1)cccc2C(=O)NC3CN4CCC3CC4
CCSC(=O)c1cccc(C(=O)SCC)c1	ZINC000000001324	c1ccccc1
COc1cc(C)c(OC)c(C)c1CC2=NCCN2	ZINC000000001327	C2CN=C(Cc1ccccc1)N2
Cc2ccc1cc(N(=O)=O)ccc1n2	ZINC000000091591	c2ccc1ncccc1c2
Cc4ccc3occ(CN2CCC(N1CCCCC1)CC2)c(=O)c3c4	ZINC000000212267	O=c3c(CN2CCC(N1CCCCC1)CC2)coc4ccccc34
CN(C)C(=O)Cc2c(c1ccccc1)[nH]c3ccccc23	ZINC000000008137	c3ccc(c2cc1ccccc1[nH]2)cc3
C[N@]1CCC3=C(C1)c2nsnc2SC3	ZINC000000021235	C1CC3=C(CN1)c2nsnc2SC3
Cc3cc(C)c(C(=O)Nc2ccc(OCc1ccccc1)cc2)c(C)c3	ZINC000000048260	O=C(Nc2ccc(OCc1ccccc1)cc2)c3ccccc3
Cc2nnc3c(=O)[nH]c1cc(Cl)c(Cl)cc1n23	ZINC000000007114	O=c2[nH]c1ccccc1n3cnnc23
N[C@H](C(O)=O)c1ccc(C=O)c(O)c1	ZINC000000000327	c1ccccc1
COc3cc2CCN1C(=O)OC(C)(C)[C@@]1(C)c2cc3OC	ZINC000000052398	O=C1OCC2N1CCc3ccccc23
O=c2n(CCSC(=S)N1CCCCCC1)c(=O)c3ccccc23	ZINC000000240861	O=c2n(CCSC(=S)N1CCCCCC1)c(=O)c3ccccc23
O=C(NC(c1ccccc1)c2ccccc2)c3ccco3	ZINC000000030001	O=C(NC(c1ccccc1)c2ccccc2)c3ccco3
CC2CCN(C[C@H](O)COc1cccc(C)c1)CC2	ZINC000000249926	C2CCN(CCCOc1ccccc1)CC2
Fc3ccc(NC(=O)CSc2nnc1CCCCCn12)cc3	ZINC000000029005	O=C(CSc2nnc1CCCCCn12)Nc3ccccc3
Cc3ccc(\C=c2/[nH]c(=S)n(c1ccccc1)c2=O)cc3	ZINC000000043073	O=c2n(c1ccccc1)c(=S)[nH]c2=Cc3ccccc3
OC3(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)c2ccccc2C3=O	ZINC000000103174	O=C(NC2C(=O)c1ccccc1C2=O)c3ccccc3
NCC(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000000252346	c1ccccc1
O=C1Cc4c(N1)ccc5c(CCC3CCN(Cc2ccccc2)CC3)noc45	ZINC000000580309	O=C1Cc4c(N1)ccc5c(CCC3CCN(Cc2ccccc2)CC3)noc45
O[C@@H]2C[N+]3(Cc1ccccc1)CCC2CC3	ZINC000000520255	C2C[N+]3(Cc1ccccc1)CCC2CC3
CCN(CC)C(=O)N1CCOCC1	ZINC000000030261	C1COCCN1
O=C(N1CCOCC1)N2CCc3ccccc23	ZINC000000030262	O=C(N1CCOCC1)N2CCc3ccccc23
CC2CCN(C(=O)c1ccccc1)CC2	ZINC000000029147	O=C(N1CCCCC1)c2ccccc2
CCn1c(N)nc2ccccc12	ZINC000000053442	c2ccc1[nH]cnc1c2
O=C2NCC(c1ccccc1)N=N2	ZINC000000267459	O=C2NCC(c1ccccc1)N=N2
COc4ccc(c2nc1ccccc1n2Cc3ccc(Cl)cc3)cc4	ZINC000000194327	C(c1ccccc1)n3c(c2ccccc2)nc4ccccc34
O=C(NCc1ccccc1)[C@@H]3CC[C@@H](C(=O)NCc2ccccc2)N3	ZINC000000170969	O=C(NCc1ccccc1)C3CCC(C(=O)NCc2ccccc2)N3
CC(=O)c1sccc1NC(=O)CSCc2ccc(Cl)cc2	ZINC000000080729	O=C(CSCc1ccccc1)Nc2ccsc2
COC(=O)\C=C\C(F)(F)F	ZINC000000158099	nonring
CC(=O)COc1ccccc1OC(=O)c2ccc(N(=O)=O)cc2	ZINC000000042304	O=C(Oc1ccccc1)c2ccccc2
CC2CCN(C(=O)[C@@H](C)Oc1ccccc1)CC2	ZINC000000030911	O=C(COc1ccccc1)N2CCCCC2
CC3(C)C=C(N1CCCCC1=O)c2ccc(C(F)(F)F)cc23	ZINC000000010428	O=C1CCCCN1C2=CCc3ccccc23
C[C@@H]1CCc3c(C1)sc(NC(=O)CSc2nccn2C)c3C#N	ZINC000000158892	O=C(CSc1ncc[nH]1)Nc3cc2CCCCc2s3
NC(=N)c1ccc(C(F)(F)F)cc1	ZINC000000118910	c1ccccc1
Cc1cc(C=O)oc1C	ZINC000000153224	c1ccoc1
CCOC(=O)c2oc1ccccc1c2CN3CCC(C(N)=O)CC3	ZINC000000118667	C3CCN(Cc1coc2ccccc12)CC3
COc2ccc(C(=O)OCC(=O)c1ccc(N(=O)=O)cc1)cc2OC	ZINC000000282946	O=C(COC(=O)c1ccccc1)c2ccccc2
S=c1[nH]ccn1Cc2ccsc2	ZINC000000003741	S=c1[nH]ccn1Cc2ccsc2
NCc1ccc(F)c(F)c1	ZINC000000409203	c1ccccc1
NCc1c(F)cccc1F	ZINC000000409202	c1ccccc1
NCc1cc(F)ccc1F	ZINC000000409201	c1ccccc1
OC(=O)c1ccc(=O)[nH]n1	ZINC000001087916	O=c1cccn[nH]1
O=C(CN(C1CC1)C(=O)C2CC2)N(C[C@@H]3CCCO3)Cc4ccco4	ZINC000000258068	O=C(CN(C1CC1)C(=O)C2CC2)N(CC3CCCO3)Cc4ccco4
CC(C)(C)NC(NCC1CC1)N=N	ZINC000000089933	C1CC1
Cc2cc(c1ccccc1)o[n+]2C	ZINC000000198784	c2ccc(c1ccno1)cc2
CO[C@H]1C[C@H](C)N=C(SC)N1C	ZINC000000500786	C1CNC=NC1
COc3ccc(c2cc(C#N)nc(N1CCNCC1)n2)cc3	ZINC000000540907	C3CN(c2nccc(c1ccccc1)n2)CCN3
COc4cc3C[C@H](Cc2cc[n+](Cc1ccccc1)cc2)C(=O)c3cc4OC	ZINC000000603084	O=C3C(Cc2cc[n+](Cc1ccccc1)cc2)Cc4ccccc34
C[C@@H](C2CCN(Cc1ccnn1C)CC2)N3CCOCC3	ZINC000020272416	C3CN(CC2CCN(Cc1ccn[nH]1)CC2)CCO3
CN(C)CCN(Cc1ccccc1)c2ccnc(N(C)C)c2C#N	ZINC000000210132	C(Nc1ccncc1)c2ccccc2
O=C(COCC(=O)c1ccccc1)Sc3nc2ccccc2o3	ZINC000000035239	O=C(COCC(=O)c1ccccc1)Sc3nc2ccccc2o3
O=N(=O)c2cc1OCCOc1cc2CC3CC3	ZINC000000032518	C3COc2cc(CC1CC1)ccc2O3
COc3ccc(C(=O)OC1C[C@@H]2CC[C@H](C1)N2)cc3OC	ZINC000000086170	O=C(OC1CC2CCC(C1)N2)c3ccccc3
CN(C)CC(=O)Nc4ccc3[C@@H]2C[C@@H](C[N@](C1CCN(C(C)=O)CC1)C2)Cn3c4=O	ZINC000004259185	O=c4cccc3C2CC(CN(C1CCNCC1)C2)Cn34
Nc1ccccc1C#N	ZINC000000157544	c1ccccc1
COC(=O)c2sc1ccc(OC)cc1c2Br	ZINC000000035233	c2ccc1sccc1c2
C[C@@H]2CN(C1=NCCN1)C[C@@H](C)O2	ZINC000000152795	C2CN=C(N1CCOCC1)N2
Fc2ccc(/C=C/C(=O)Nc1ccccn1)cc2	ZINC000000035235	O=C(Nc1ccccn1)C=Cc2ccccc2
FC(F)(F)C(=O)Nc2ccc(C(=O)Nc1ccccn1)cc2	ZINC000000035234	O=C(Nc1ccccn1)c2ccccc2
CC(=O)c1cccc(N)c1	ZINC000000157542	c1ccccc1
CN(C)CCCn4cc(c3c(c1c[nH]c2ccccc12)c(=O)[nH]c3=O)c5ccccc45	ZINC000000585151	O=c3[nH]c(=O)c(c1c[nH]c2ccccc12)c3c4c[nH]c5ccccc45
Cc2ccc(S(=O)(=O)N(CCC(N)=O)Cc1ccccc1)cc2	ZINC000000072731	O=S(=O)(NCc1ccccc1)c2ccccc2
CC(C)(Cl)C[N+](C)(C)C	ZINC000000162345	nonring
NC(=S)c2ccc(C1OCCO1)cc2	ZINC000000125403	C2COC(c1ccccc1)O2
O=C(NC(=S)NN=c1[nH]cccc1n2cccc2)c3ccccc3	ZINC000000110066	O=C(NC(=S)NN=c1[nH]cccc1n2cccc2)c3ccccc3
COc2cc(S(=O)(=O)NCc1cccnc1)ccc2F	ZINC000000079700	O=S(=O)(NCc1cccnc1)c2ccccc2
NNc2cc(c1ccccc1)ncn2	ZINC000000331980	c2ccc(c1ccncn1)cc2
CC(=O)Oc3ccc(c2nc1cc(Cl)ccc1c(=O)o2)cc3	ZINC000000049301	O=c2oc(c1ccccc1)nc3ccccc23
CCc2[nH]c(=S)c(C#N)c(c1ccccc1)c2C(=O)OC	ZINC000000049306	S=c2cc(c1ccccc1)cc[nH]2
COC(=O)[C@@H]1CNCCN1c2ccccc2	ZINC000000070645	C2CN(c1ccccc1)CCN2
C[N+](=O)Cc1ccccc1OCc2ccccc2	ZINC000000169074	C(Oc1ccccc1)c2ccccc2
NC(=N)COc1ccccc1	ZINC000000124317	c1ccccc1
CC(C)(C)c1ccc(OCC(N)=N)cc1	ZINC000000124316	c1ccccc1
Cc2cc(C)[n+]1ccsc1n2	ZINC000000124319	c2cnc1scc[n+]1c2
NC(=N)COc1ccccc1Cl	ZINC000000124318	c1ccccc1
C[n+]1ccnc(N)c1	ZINC000000330859	c1cnccn1
CCOC(=O)c1c(C)oc2cc(CN(C)C)c(O)cc12	ZINC000000227097	c2ccc1occc1c2
Clc2ccc1c(=O)[nH]sc1c2	ZINC000000002164	O=c1[nH]sc2ccccc12
CCNc2nc(NC(C)C)nc(Oc1ccc(C(=O)OC)cc1)n2	ZINC000000068552	O(c1ccccc1)c2ncncn2
CCc3ccc(C(=O)C=CSc2nc1ccc(C)cc1[nH]2)cc3	ZINC000000068550	O=C(C=CSc2nc1ccccc1[nH]2)c3ccccc3
COc3ccc(CN[C@@H](C)[C@@H]2COc1ccccc1O2)c(OC)c3	ZINC000000189266	C(NCc1ccccc1)C3COc2ccccc2O3
N[C@@H]1CCCc2c1[nH]c3ccc(N(=O)=O)cc23	ZINC000000208551	C1CCc2c(C1)[nH]c3ccccc23
Cc1cc(Cl)nc(Cl)c1C(N)=O	ZINC000000054138	c1ccncc1
CC2(C)NN(c1ccccc1)C(=O)N2	ZINC000000099096	O=C1NCNN1c2ccccc2
OCc2c(Cl)c(Cl)c(c1ccc(O)cc1)c(Cl)c2Cl	ZINC000000022579	c2ccc(c1ccccc1)cc2
NNc2cnc1ccccc1n2	ZINC000000165342	c2ccc1nccnc1c2
COc4cccc(c2c(C(N)=O)nnc3cc(c1ccccc1)nn23)c4	ZINC000000165345	c4ccc(c3cc2nncc(c1ccccc1)n2n3)cc4
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c2ccc(Cl)cc2	ZINC000000036529	N2C=CC(c1ccccc1)C=C2
Cc2cc(n1nc(C)cc1C)nc(N)n2	ZINC000000182356	c2cnn(c1ccncn1)c2
COc3ccc(c1ncnn1c2ccc(Br)cc2F)cc3	ZINC000000182355	c3ccc(c1ncnn1c2ccccc2)cc3
CC2(C)[C@H]3CC=C(C[N@]1CCC[C@@H]1CO)[C@@H]2C3	ZINC000000212385	C3CCN(CC1=CCC2CC1C2)C3
COc4ccc([C@@]2(O)CN1CCCSC1=[N+]2c3ccc(Br)cc3)cc4	ZINC000000624123	C4CSC3=[N+](c1ccccc1)C(c2ccccc2)CN3C4
NCCCO[C@@H]1CO[C@H]2[C@H](OCCCN)CO[C@@H]12	ZINC000004792214	C2CC1OCCC1O2
CC(C)CN3CCC(C(=O)N2CCN(c1ccccc1F)CC2)CC3	ZINC000000455556	O=C(C1CCNCC1)N3CCN(c2ccccc2)CC3
C(CN1CCOCC1)Nc3ccnc4cc2ccccc2cc34	ZINC000000196200	C(CN1CCOCC1)Nc3ccnc4cc2ccccc2cc34
O=S(=O)(Cc1cccc[n+]1Cc2ccccc2)c3ccccc3	ZINC000000398740	O=S(=O)(Cc1cccc[n+]1Cc2ccccc2)c3ccccc3
O[C@@H]3CCC[N@]([C@@H]2CCc1ccccc1C2)C3	ZINC000000221679	C3CCN(C2CCc1ccccc1C2)CC3
O=C(Nc1ccccc1)C(=S)N2CCOCC2	ZINC000000055267	O=C(Nc1ccccc1)C(=S)N2CCOCC2
Brc3cncc(C(=O)Nc2ccc1OCOc1c2)c3	ZINC000000037927	O=C(Nc2ccc1OCOc1c2)c3cccnc3
COC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	ZINC000000037697	c1ccccc1
CN(C)C(=O)[n+]2ccc1ccccc1c2	ZINC000000408792	c2ccc1cnccc1c2
COc2ccc(OC)c(/C=C/C(=O)NC[C@@H]1CCCO1)c2	ZINC000000037921	O=C(NCC1CCCO1)C=Cc2ccccc2
Cn2nc(c1ccccc1)cc2N	ZINC000000095216	c2ccc(c1cc[nH]n1)cc2
CN(C)CCO[C@](C)(c1ccccc1)c2ccc(Cl)cc2	ZINC000000000137	C(c1ccccc1)c2ccccc2
OC[C@@H](O)COc1ccc(Cl)cc1	ZINC000000000135	c1ccccc1
CN2[C@H](c1ccc(Cl)cc1)S(=O)(=O)CCC2=O	ZINC000000000133	O=C2CCS(=O)(=O)C(c1ccccc1)N2
CC(=O)NC2(O)C(=O)c1ccccc1C2=O	ZINC000000040260	O=C1CC(=O)c2ccccc12
C[C@@H]1O[C@@]2(CS1)CN3CCC2CC3	ZINC000000010163	C1CN3CCC1C2(CSCO2)C3
CC(C)N[C@@H](C)Cc1ccc(O)cn1	ZINC000000004659	c1ccncc1
CC[N@]1[C@H]2CC[C@@H]1CC(O)C2	ZINC000000336723	C1CC2CCC(C1)N2
C[N@]1CCCC[C@H]1C(=O)Nc2c(C)cccc2C	ZINC000000154964	O=C(Nc1ccccc1)C2CCCCN2
COc3ccc(CCC(=O)Nc2ccc1OCOc1c2)cc3	ZINC000000037079	O=C(CCc1ccccc1)Nc3ccc2OCOc2c3
Cc3ccc2[nH]c(c1cc[n+](C)cc1)cc2c3	ZINC000000063339	c3ccc2[nH]c(c1ccncc1)cc2c3
CCC2CCC([N@]1CCC[C@@H](C(N)=O)C1)CC2	ZINC000000217727	C2CCC(N1CCCCC1)CC2
O=C2CCC(c1ccccc1)=NN2	ZINC000000040047	O=C2CCC(c1ccccc1)=NN2
CC[C@@]1(O)C[C@H](C)[N@@](C)C[C@@H]1C	ZINC000000251730	C1CCNCC1
CC(=O)Nc2sc1CCCc1c2C#N	ZINC000000040048	C2Cc1ccsc1C2
CC(=O)c2ccc(NC(=O)c1c(C)cc(=O)oc1C)cc2	ZINC000000028524	O=C(Nc1ccccc1)c2ccc(=O)oc2
Cc1ccccc1C(=O)Nc2ccccc2C(=O)N3CCCC3	ZINC000000028520	O=C(Nc1ccccc1C(=O)N2CCCC2)c3ccccc3
CCOC(=O)c3sc2ncnc(N1CCN(CC)CC1)c2c3C	ZINC000000109808	C3CN(c1ncnc2sccc12)CCN3
OC[C@H]1C[C@@H]1c2c[nH]cn2	ZINC000000003020	C1CC1c2c[nH]cn2
CCC(CC)C(=O)Nc2c1CSCc1nn2c3ccc(C)cc3C	ZINC000000190339	C2SCc3nn(c1ccccc1)cc23
C=CC[N+]3(Cn2c(=O)c1ccccc1c2=O)CCCCC3	ZINC000000355128	O=c2n(CN1CCCCC1)c(=O)c3ccccc23
O=C2N[C@@H]1CCCCCC[C@H]12	ZINC000001733339	O=C2NC1CCCCCCC12
O=CN2CCc1scc[n+]1c3ccccc23	ZINC000000384202	C3Cc1scc[n+]1c2ccccc2N3
C[C@@]12NCCN1C(=O)OC23CCCCC3	ZINC000000139605	O=C3OC1(CCCCC1)C2NCCN23
C[C@H](Oc1ccccc1c2ccccc2)c3n[nH]c(=S)n3CC=C	ZINC000000163586	S=c3[nH]nc(COc1ccccc1c2ccccc2)[nH]3
N=C2Cc1ccccc1CN2c3cccc(N(=O)=O)c3	ZINC000000139600	N=C2Cc1ccccc1CN2c3ccccc3
O=C3N[C@H](c1cccc2ccccc12)C(=O)N3	ZINC000000236406	O=C3NC(c1cccc2ccccc12)C(=O)N3
C[C@@H](N)C(=O)N1CCC(O)CC1	ZINC000019429777	C1CCNCC1
Cc2cccc3[C@H](c1c[nH]cn1)CCCc23	ZINC000000006656	C3CC(c1c[nH]cn1)c2ccccc2C3
Brc2ccc(NC(=O)Cc1ccc(N(=O)=O)cc1)nc2	ZINC000000043535	O=C(Cc1ccccc1)Nc2ccccn2
Oc2ccc(NC(=O)N1CCNC1=O)cc2O	ZINC000000043534	O=C1NCCN1C(=O)Nc2ccccc2
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc2nc(C)cc(C)n2	ZINC000000051664	O=C(CSc1ncccn1)OC2CCCCC2
Cc3cc(C)n(C(=O)c2ccc(NC(=O)C1CC1)cc2)n3	ZINC000000038580	O=C(Nc2ccc(C(=O)n1cccn1)cc2)C3CC3
NNc1c(F)c(F)cc(F)c1F	ZINC000000035750	c1ccccc1
O=CN1CCc2ccccc12	ZINC000000157045	C2Cc1ccccc1N2
Cc2ccc(SCC(=O)Nc1ccccc1C#N)cc2	ZINC000000039190	O=C(CSc1ccccc1)Nc2ccccc2
Cc2cc(=O)n(c1cccc(N(=O)=O)c1)[nH]2	ZINC000000174848	O=c1cc[nH]n1c2ccccc2
c4ccc(c3nc(c1ccccn1)nc(c2ccccn2)n3)nc4	ZINC000000039221	c4ccc(c3nc(c1ccccn1)nc(c2ccccn2)n3)nc4
Nc2cnc1ccccc1c2	ZINC000000039224	c2ccc1ncccc1c2
COC[C@@H]1CCCN1C(=O)c2ccccc2OC	ZINC000000039228	O=C(N1CCCC1)c2ccccc2
Cc3ccc(NC(=O)[C@@H]2C=C(O)NC(Nc1cccc(C)c1)=N2)cc3	ZINC000000528866	O=C(Nc1ccccc1)C3C=CNC(Nc2ccccc2)=N3
OC2CCN(Cc1ccc(F)cc1)CC2	ZINC000000240508	C2CCN(Cc1ccccc1)CC2
COc1ccc([C@@](CCN(C)C)(CN(C)C)C#N)cc1	ZINC000001675356	c1ccccc1
NC1[C@H]3CC2C[C@@H]1CC(O)(C2)C3	ZINC000000289629	C1C2CC3CC1CC(C2)C3
O=C1CCCN1[C@@H]2CCCc3ccccc23	ZINC000000016136	O=C1CCCN1C2CCCc3ccccc23
CN2CCC(OC(=O)c1cccc(Br)c1)CC2	ZINC000000383075	O=C(OC1CCNCC1)c2ccccc2
Cc1ccc(OC[C@@H](O)CN)cc1	ZINC000000289623	c1ccccc1
NC(=N)c1cccc(C(F)(F)F)c1	ZINC000000089416	c1ccccc1
CC(C)C(=O)Nc2nc1ccccc1s2	ZINC000000029808	c2ccc1scnc1c2
CS(=O)(=O)NCc2ccc(C(=O)NCc1ccccc1)cc2	ZINC000000111293	O=C(NCc1ccccc1)c2ccccc2
Cc3cccc(C(=O)Nc2ccc1OCOc1c2)c3	ZINC000000035537	O=C(Nc2ccc1OCOc1c2)c3ccccc3
S=C(NCc1ccco1)Nc2nccs2	ZINC000000008935	S=C(NCc1ccco1)Nc2nccs2
CC(=O)N2CC(=O)N/C(=C/c1ccco1)C2=O	ZINC000000047543	O=C2CNC(=O)C(=Cc1ccco1)N2
C2CN(Cc1ccccn1)CCS2	ZINC000000277731	C2CN(Cc1ccccn1)CCS2
CCOC(=O)C1CCN(C(C)(C)C=O)CC1	ZINC000000168201	C1CCNCC1
Cc1ccccc1Cn2c(N)nc3ccccc23	ZINC000000168202	C(c1ccccc1)n2cnc3ccccc23
CCc1cc(N)nc(N)n1	ZINC000000330466	c1cncnc1
NC(=O)C3CCN([C@H]2CC(=O)N(Cc1ccc(Cl)cc1)C2=O)CC3	ZINC000000101140	O=C2CC(N1CCCCC1)C(=O)N2Cc3ccccc3
CCN(CC)CC#CC1(OC(C)=O)CCCCC1	ZINC000000206924	C1CCCCC1
CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC	ZINC000000003975	c1c[nH]cn1
CN4CCN(c3nc(c1ccccc1)nc(n2ccnc2)n3)CC4	ZINC000000108836	C4CN(c3nc(c1ccccc1)nc(n2ccnc2)n3)CCN4
COc4ccc([C@@H]2Nc1ccccc1C(=O)N2Cc3ccco3)cc4	ZINC000000070098	O=C3N(Cc1ccco1)C(c2ccccc2)Nc4ccccc34
CN(C)c3ccc(\C=N\N2CCN(c1ccccc1)CC2)cc3	ZINC000000136497	C2CN(c1ccccc1)CCN2N=Cc3ccccc3
OC2(\C=C\CN1CCCCC1)CCCCC2	ZINC000000123377	C2CCC(C=CCN1CCCCC1)CC2
NN=c1nc[nH]c2sccc12	ZINC000000160056	N=c1nc[nH]c2sccc12
Cn1c(Cl)c[n+](C)c1[C@@H](O)c2ccccc2	ZINC000000231570	C(c1ccccc1)c2ncc[nH]2
Cn1ccc(C(F)(F)F)n1	ZINC000000160136	c1cn[nH]c1
OC(=O)c2ccc1SCC(=O)Nc1c2	ZINC000000229641	O=C2CSc1ccccc1N2
Fc2ccc(NN=C(C#N)C(=N)N1CCOCC1)cc2	ZINC000000067799	N=C(C=NNc1ccccc1)N2CCOCC2
COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1	ZINC000000403079	c1ccccc1
CSC2=NC(C)(C)C[C@@](C)(c1ccc(O)cc1O)N2	ZINC000000033343	C2CC(c1ccccc1)NC=N2
C[C@@H]1CCc2c(C1)cnc3scn[n+]23	ZINC000000390339	C1CCc2c(C1)cnc3scn[n+]23
CCN(CC)Cc1ccccn1	ZINC000000187880	c1ccncc1
CN(C)Cc1ccc(OC(=O)N(C)C)c(Cl)c1	ZINC000000187884	c1ccccc1
C[N+]1=c2cc(N)c(=O)c3[nH]cc(CC1)c23	ZINC000000019950	O=c1ccc3=NCCc2c[nH]c1c23
Cc2nc1sc(C(N)=O)c(N)c1c(C)c2C	ZINC000000069898	c2cnc1sccc1c2
C[C@@H](Cc1c[nH]c2ccc(Cl)cc12)/N=C/c3ccc(N(C)C)cc3	ZINC000000053115	C(Cc1c[nH]c2ccccc12)N=Cc3ccccc3
NNC(=N)Cc1ccccc1	ZINC000000345296	c1ccccc1
C2CN[C@H](c1cccnc1)C2	ZINC000000391820	C2CNC(c1cccnc1)C2
COc3cccc(Oc2c(Cl)c(=O)n(c1ccc(C)cc1)c2=O)c3	ZINC000000090623	O=c2cc(Oc1ccccc1)c(=O)n2c3ccccc3
CC[C@@H](C)Cn1c(=O)n(C)c(=O)c2nc(C)[nH]c12	ZINC000000000831	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CC2(C)CC(NC(=O)c1ccn[nH]1)CC(C)(C)N2	ZINC000000092959	O=C(NC1CCNCC1)c2ccn[nH]2
O[C@H]3C[C@@H]1CCCN2CCc4c([C@@H]12)n3c5ccccc45	ZINC000000000838	C2CC1CCn4c3C1N(C2)CCc3c5ccccc45
CC(C)(C)NCC(=O)Nc1nccs1	ZINC000000326260	c1cscn1
NC(=O)c2cccc(/N=C/c1ccc[nH]1)c2	ZINC000000047175	C(=Nc1ccccc1)c2ccc[nH]2
OC4CCN(CCCn2c1ccccc1sc3ccc(C#N)cc23)CC4	ZINC000000538159	C4CCN(CCCn2c1ccccc1sc3ccccc23)CC4
N[n+]2cnn(Cc1ccccc1)c2	ZINC000000409683	C(c1ccccc1)n2cncn2
Cc1ccc(NC[C@@H](O)CNC(N)=N)c(C)c1	ZINC000000307842	c1ccccc1
N#CC2(c1ccccc1)CCNCC2	ZINC000000155176	C2CC(c1ccccc1)CCN2
Clc2ccc(C1=CCNCC1)cc2	ZINC000000155174	C2CC(c1ccccc1)=CCN2
O=C2CCC(c1cccs1)=NN2	ZINC000000129237	O=C2CCC(c1cccs1)=NN2
Clc1cccc(CC#N)c1	ZINC000000155172	c1ccccc1
Cc2ccc(c1ocnc1C(N)=O)cc2	ZINC000000129542	c2ccc(c1cnco1)cc2
C[C@@H]2C[N@@](C1CCCCC1)CCC2=O	ZINC000000129239	O=C2CCN(C1CCCCC1)CC2
CCNC(=S)N1CCN(CC)CC1	ZINC000000300304	C1CNCCN1
Cn2c(N)[n+](CC(=O)c1ccccc1)c3ccccc23	ZINC000000085627	O=C(C[n+]1c[nH]c2ccccc12)c3ccccc3
CCOC(=O)[C@@H]2CCC[N@@](Cc1ccoc1)C2	ZINC000000240227	C2CCN(Cc1ccoc1)CC2
CN2CCN(c1nccs1)CC2	ZINC000000022036	C2CN(c1nccs1)CCN2
O[C@@]3(c1ccccc1)CN2CCCSC2=[N+]3c4ccc(F)cc4	ZINC000000389450	C4CSC3=[N+](c1ccccc1)C(c2ccccc2)CN3C4
NC(NCc1ccccc1)N=N	ZINC000000004334	c1ccccc1
Cc1cnccc1c2sc(=O)[nH]c2C	ZINC000000011545	O=c2[nH]cc(c1ccncc1)s2
C[N@]1[C@H]4CC[C@@H]1CC(NC(=O)c2cnn3ccc(C)cc23)C4	ZINC000000008332	O=C(NC1CC2CCC(C1)N2)c3cnn4ccccc34
CS(=O)(=O)c1cccs1	ZINC000000095664	c1ccsc1
C1CN3CCC1C(c2ccccn2)=C3	ZINC000000004847	C1CN3CCC1C(c2ccccn2)=C3
Cc1n[nH]c(C)c1CN	ZINC000000064910	c1cn[nH]c1
CC2=C(c1ccccc1)C(=O)NC2	ZINC000000132498	O=C1NCC=C1c2ccccc2
Cc2cc1occ(C=O)c(=O)c1cc2Cl	ZINC000000057968	O=c1ccoc2ccccc12
Cc1ncc(N(=O)=O)n1C	ZINC000000001307	c1c[nH]cn1
FC(F)(F)c2cccc(NC(=O)c1cnccn1)c2	ZINC000000035636	O=C(Nc1ccccc1)c2cnccn2
Oc2cccc(\C=N\N1CCOCC1)c2O	ZINC000000108952	C2CN(N=Cc1ccccc1)CCO2
Fc2ccc(\C=N\N=C1\NC(=O)CCS1)cc2	ZINC000000103955	O=C2CCSC(=NN=Cc1ccccc1)N2
Cc3cccc(CC(=O)Nc2c1C[S@](=O)Cc1nn2C(C)(C)C)c3	ZINC000000212243	O=C(Cc1ccccc1)Nc3[nH]nc2CS(=O)Cc23
Cc1[nH]nc2oc(=O)c(Cl)c(C)c12	ZINC000000091574	O=c2ccc1c[nH]nc1o2
NC(N=N)N1CCCCC1	ZINC000000011152	C1CCNCC1
COc4ccc([n+]3c(c1ccc(Cl)cc1)cn2C[C@H](C)Sc23)cc4	ZINC000000624668	C4Cn3cc(c1ccccc1)[n+](c2ccccc2)c3S4
C3CN(c2nc1ccccc1s2)CCN3	ZINC000000242024	C3CN(c2nc1ccccc1s2)CCN3
CC(=O)N2CC[n+]3cc(c1ccccc1)sc23	ZINC000000392222	C3C[n+]2cc(c1ccccc1)sc2N3
COc3cc2CC[C@H](N)c1cc(=O)c(N)ccc1c2c(OC)c3OC	ZINC000000265532	O=c3cccc2c(CCCc1ccccc12)c3
CC(C)CCn1c(Br)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000040459	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NC(=O)C1(C(O)=O)CC1	ZINC000000155796	C1CC1
O=C(N1CCCCC1)c3ccc2nonc2c3	ZINC000000007461	O=C(N1CCCCC1)c3ccc2nonc2c3
CCOC(=O)c1ccc(SC)c(C)c1O	ZINC000000040456	c1ccccc1
CN(C)Cc2ccc(O)c(CCc1ccccc1)n2	ZINC000000186301	C(Cc1ccccn1)c2ccccc2
C3CCN(C[C@@H]2COC1(CCCC1)O2)C3	ZINC000000185903	C3CCN(CC2COC1(CCCC1)O2)C3
NC(=N)c1cccc(N)c1	ZINC000000154559	c1ccccc1
COc1ccc(OC)c(CCN)c1	ZINC000000389703	c1ccccc1
O=C(Cn1cc(C#N)c2ccccc12)NC3CCCCCC3	ZINC000000029023	O=C(Cn1ccc2ccccc12)NC3CCCCCC3
Nc1ccccc1CC#N	ZINC000000389700	c1ccccc1
O=C(Cn1cc(C#N)c2ccccc12)NCc3ccccc3	ZINC000000029024	O=C(Cn1ccc2ccccc12)NCc3ccccc3
O=C1CCCc2[nH]ccc12	ZINC000000389705	O=C1CCCc2[nH]ccc12
Cn2c(=O)oc3cc(S(=O)(=O)Nc1cccc(N(=O)=O)c1)ccc23	ZINC000000089626	O=c3[nH]c2ccc(S(=O)(=O)Nc1ccccc1)cc2o3
C[N+](C)(C)c1cnc(=O)[nH]c1	ZINC000000039052	O=c1nccc[nH]1
Cc2ccc(NS(=O)(=O)c1ccc(F)cc1)cn2	ZINC000000017876	O=S(=O)(Nc1cccnc1)c2ccccc2
CN1CCN(NC(C)=O)CC1	ZINC000001724111	C1CNCCN1
OC(=O)C1=NCCSC1	ZINC000000902065	C1CN=CCS1
Cc1cc(C)c(O)c(N)c1	ZINC000000123145	c1ccccc1
CCCN2CCC([N@@](CCO)Cc1ccccc1)CC2	ZINC000000220199	C2CC(NCc1ccccc1)CCN2
CN3CCN(c1ncnc2n(C)ncc12)CC3	ZINC000000116897	C3CN(c1ncnc2[nH]ncc12)CCN3
Cc1c(O)c(=O)ccn1C	ZINC000000006226	O=c1cc[nH]cc1
CN(C)C1=CCC(=O)O1	ZINC000000031228	O=C1CC=CO1
COC1CCC(OC)CC1	ZINC000000031221	C1CCCCC1
CC(=O)c1ccc[nH]1	ZINC000000153027	c1cc[nH]c1
O=N(=O)c2cccc3c(=O)n(c1ccccn1)c(=O)c23	ZINC000000050914	O=c2n(c1ccccn1)c(=O)c3ccccc23
COCc1cc(C)c(C#N)c(=S)[nH]1	ZINC000000050917	S=c1cccc[nH]1
COC(=O)c2ccc(CN(C)c1cc(OC)c(OC)c(OC)c1)cc2	ZINC000000015709	C(Nc1ccccc1)c2ccccc2
C[C@@H](c1ccccc1)n2cnc3cc(N)ccc23	ZINC000000056372	C(c1ccccc1)n2cnc3ccccc23
CC(C)(C)c3cc(c2cnc1CCCCCn12)cc(C(C)(C)C)c3O	ZINC000000099965	C3CCc2ncc(c1ccccc1)n2CC3
Cc1cccnc1NC(=O)c2cccc(Cl)c2	ZINC000000031791	O=C(Nc1ccccn1)c2ccccc2
CN(C)C(=O)CSc2nnc(c1cccnc1)n2c3ccccc3	ZINC000000056377	c3ccc(n1cnnc1c2cccnc2)cc3
Fc1ccccc1[C@H]2NC(=O)CS2	ZINC000000099960	O=C2CSC(c1ccccc1)N2
C[N+](C)(C)Cc1c(O)cccc1N(=O)=O	ZINC000000294696	c1ccccc1
NS(=O)(=O)c2ccc(CNC(=O)COc1ccccc1)cc2	ZINC000000030935	O=C(COc1ccccc1)NCc2ccccc2
CC(C)(O)C1CC[N+](C)(C)CC1	ZINC000000162284	C1CCNCC1
Oc1ccc(Cl)cc1Nc3c(Cl)c(=O)n(c2ccccc2)c3=O	ZINC000000144899	O=c2cc(Nc1ccccc1)c(=O)n2c3ccccc3
N(c1ccncc1)n2ccc3ccccc23	ZINC000000024994	N(c1ccncc1)n2ccc3ccccc23
CC(=O)c2nc1ccccc1[nH]2	ZINC000000260175	c2ccc1[nH]cnc1c2
Cc1ccc(C=O)s1	ZINC000000152265	c1ccsc1
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c3cc2cc(C)cc(C)c2[nH]c3=O	ZINC000000420355	O=c2[nH]c1ccccc1cc2C3C=COC=C3
Cc1cc([C@@H](N)C(O)=O)c(C)s1	ZINC000000028297	c1ccsc1
Nc1ccc(Cl)nc1	ZINC000000331618	c1ccncc1
COc2cc(\C=C\c1cc(C)no1)cc(OC)c2O	ZINC000000003764	C(=Cc1ccno1)c2ccccc2
Nc3noc([C@H]1CN2CCC1CC2)n3	ZINC000000003765	C1CN3CCC1C(c2ncno2)C3
O=C(NCc1ccco1)c2ccccc2C(=O)c3ncc[nH]3	ZINC000000049493	O=C(NCc1ccco1)c2ccccc2C(=O)c3ncc[nH]3
CCN(C(=O)c1cc(C(=O)OC)cc(N(=O)=O)c1)c2ccccc2	ZINC000000060855	O=C(Nc1ccccc1)c2ccccc2
O=C(Cc1ccccc1)SC2=NCCS2	ZINC000000035255	O=C(Cc1ccccc1)SC2=NCCS2
CC(C)(O)c2cn1ccccc1n2	ZINC000000086156	c2ccn1ccnc1c2
COc3ccc(CC(=O)Sc2nc1ccccc1o2)cc3	ZINC000000035250	O=C(Cc1ccccc1)Sc3nc2ccccc2o3
CN2CCN(NC(=O)c1ccc(Cl)c(N(=O)=O)c1)CC2	ZINC000000369132	O=C(NN1CCNCC1)c2ccccc2
CC(=O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C	ZINC000000057359	O=C1CCCC=C1
OC(=O)c2cn(c1ccccc1)nn2	ZINC000000127683	c2ccc(n1ccnn1)cc2
CCC[C@@]2(c1cccc(O)c1)CC[N@@](C)C[C@H]2C	ZINC000000001941	C2CC(c1ccccc1)CCN2
NNc2nnc(Cc1ccncc1)c3ccccc23	ZINC000000001943	C(c1ccncc1)c2nncc3ccccc23
NCc1cccnc1	ZINC000000001944	c1ccncc1
Clc1ccccc1c3nc(c2ccncc2)no3	ZINC000000001947	c3ccc(c2nc(c1ccncc1)no2)cc3
CN(C)CCC(=O)c1ccccc1	ZINC000000079582	c1ccccc1
C4Cc3n[nH]c(CN2CCC(CN1CCOCC1)CC2)c3C4	ZINC000020119615	C4Cc3n[nH]c(CN2CCC(CN1CCOCC1)CC2)c3C4
C4CCN(c3nc(Nc1ccccc1)nc(N2CCNCC2)n3)CC4	ZINC000000308153	C4CCN(c3nc(Nc1ccccc1)nc(N2CCNCC2)n3)CC4
O=C(Nc1ccccn1)N2CCOCC2	ZINC000000152043	O=C(Nc1ccccn1)N2CCOCC2
Clc3cc(Cl)cc(Oc2ccc(C(=O)Nc1cccnc1)o2)c3	ZINC000000146238	O=C(Nc1cccnc1)c3ccc(Oc2ccccc2)o3
COc1ccc(C)c(N)c1	ZINC000000157567	c1ccccc1
CN2CCN(C(=O)N1CCOCC1)CC2	ZINC000000152045	O=C(N1CCNCC1)N2CCOCC2
O[C@]4(c1ccccc1)N(CCOc2ccccc2)C(=O)c3ccccc34	ZINC000000106650	O=C3N(CCOc1ccccc1)C(c2ccccc2)c4ccccc34
C[C@@H]1CN(S(C)(=O)=O)C[C@@H](C)O1	ZINC000000029689	C1COCCN1
CN3CCN(C(=O)Cn2ccc1ccccc1c2=O)CC3	ZINC000000211604	O=C(Cn2ccc1ccccc1c2=O)N3CCNCC3
CC(=O)CSc1n(C)c(C)c(C)[n+]1C	ZINC000000004816	c1c[nH]cn1
CN(C)CCNC(=O)c3ccc2sc1ccccc1c(=O)[nH]c2c3	ZINC000000216929	O=c2[nH]c1ccccc1sc3ccccc23
Cc2ccc(S(=O)(=O)NCCn1cnc(N(=O)=O)n1)cc2	ZINC000000033621	O=S(=O)(NCCn1cncn1)c2ccccc2
CCOC(=O)[C@@H](C#N)[C@@]2(Cc1ccccc1)C[C@H](C)[N@@](C)C[C@@H]2C	ZINC000000341244	C2CC(Cc1ccccc1)CCN2
CC1=CC(C)(C)NC(=S)N1CC=C	ZINC000000053745	S=C1NCC=CN1
O=C2NC1(CCCCC1)Nc3ccccc23	ZINC000000053744	O=C2NC1(CCCCC1)Nc3ccccc23
Cc1ccccc1n2c(=O)ccc2=O	ZINC000000114942	O=c1ccc(=O)n1c2ccccc2
Cc1cccc2c(CCN)c[nH]c12	ZINC000000112537	c2ccc1[nH]ccc1c2
C4CCN(C3CCN(Cc2ccc1OCOc1c2)CC3)CC4	ZINC000000200646	C4CCN(C3CCN(Cc2ccc1OCOc1c2)CC3)CC4
CCNc1nc(OC)cc(OC)n1	ZINC000000039739	c1cncnc1
CN(C)CCC[C@@H]3C(=O)[C@H](c1ccccc1)N(c2ccccc2)C3=O	ZINC000000394152	O=C2CC(=O)N(c1ccccc1)C2c3ccccc3
C[C@@H](CS(=O)(=O)c1ccccc1)N2CCCCC2	ZINC000000074264	O=S(=O)(CCN1CCCCC1)c2ccccc2
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c2ccc(OC)c(O)c2	ZINC000000036500	O=C2NC=CC(c1ccccc1)N2
CN3CCN(c2ccc(NC(=O)c1ccccc1F)cc2)CC3	ZINC000000515010	O=C(Nc2ccc(N1CCNCC1)cc2)c3ccccc3
O=C(Nc1cccnc1)N3CCc4cc2[nH]ccc2cc34	ZINC000000018235	O=C(Nc1cccnc1)N3CCc4cc2[nH]ccc2cc34
CN4CCN(/N=C/c2nc(c1ccccc1)n3ccccc23)CC4	ZINC000000079320	C4CN(N=Cc2nc(c1ccccc1)n3ccccc23)CCN4
COc2ccc(Cc1c(Cl)nc(SC)nc1NN)cc2	ZINC000000380806	C(c1ccccc1)c2cncnc2
Clc3ccc(c2nnc(SCc1ccccc1)o2)c(Cl)c3	ZINC000000035519	C(Sc2nnc(c1ccccc1)o2)c3ccccc3
c2ccc1scnc1c2	ZINC000000019726	c2ccc1scnc1c2
O=C(NC1CCCCC1)c2ccccc2	ZINC000000061530	O=C(NC1CCCCC1)c2ccccc2
COc1ccc(NC(=O)NC(N)=O)cc1	ZINC000000039881	c1ccccc1
CN(C)Cc1cc(C(C)=O)n2ccccc12	ZINC000000179973	c2ccn1cccc1c2
Oc2ccc1ccc(=O)oc1c2	ZINC000000058111	O=c2ccc1ccccc1o2
Fc5ccc(N4CCN(CCCN3c1cccc2cccc(c12)S3(=O)=O)CC4)cc5	ZINC000000597400	O=S3(=O)N(CCCN2CCN(c1ccccc1)CC2)c4cccc5cccc3c45
Cc1ccc(Cl)cc1N2CCNCC2	ZINC000000066075	C2CN(c1ccccc1)CCN2
C[N+]14CCCC[C@@H]1[C@H](OC(=O)C3(c2ccccc2)CCCC3)CCC4	ZINC000000234102	O=C(OC1CCCN2CCCCC12)C4(c3ccccc3)CCCC4
O=C(Nc1ccccn1)c2ccco2	ZINC000000055248	O=C(Nc1ccccn1)c2ccco2
Cc2sc1[nH]c(=O)[nH]c(=O)c1c2C	ZINC000000098604	O=c2[nH]c(=O)c1ccsc1[nH]2
COc2cc(C[N@]1CCC[C@@H](O)C1)cc3OCOc23	ZINC000000210510	C3CCN(Cc2ccc1OCOc1c2)CC3
Clc2c(C(=O)NC(=S)Nc1ccccc1)sc3ccccc23	ZINC000000095273	O=C(NC(=S)Nc1ccccc1)c3cc2ccccc2s3
CCOC(=O)c3sc2ncnc(Nc1cccc(Cl)c1)c2c3C	ZINC000000098350	N(c1ccccc1)c2ncnc3sccc23
COc4ccc3n(CC1CC1)c(=O)nc(c2ccccc2)c3c4	ZINC000000000154	O=c3nc(c1ccccc1)c2ccccc2n3CC4CC4
COC(=O)\C=C\c1ccccc1OC[C@H](O)CNC(C)C	ZINC000000000150	c1ccccc1
C[C@@H]1CC(C)(C)N=C(C(C)=C)O1	ZINC000000040201	C1COC=NC1
Oc4c(C[C@@H]1CCCO1)c(=O)n5c2ccccc2c3ccccc3n45	ZINC000000000152	O=c4c(CC1CCCO1)cn5c2ccccc2c3ccccc3n45
C1SCC1Oc2ccccc2	ZINC000000038023	C1SCC1Oc2ccccc2
COC(=O)[C@@H](C#N)C1CC(C)(C)NC(C)(C)C1	ZINC000000104372	C1CCNCC1
O[C@H](CC(O)=O)c2nc1ccccc1[nH]2	ZINC000000099551	c2ccc1[nH]cnc1c2
Cc2cc(n1nn[nH]c1=S)ccc2F	ZINC000000099001	S=c1[nH]nnn1c2ccccc2
C[N@]1[C@H]3CC[C@@H]1CC(NS(=O)(=O)c2ccc(F)cc2)C3	ZINC000000135914	O=S(=O)(NC1CC2CCC(C1)N2)c3ccccc3
COC(=O)c2ccc(C#Cc1ccccc1)o2	ZINC000000050307	C(#Cc1ccco1)c2ccccc2
Cc3ccc(Nc2nc(=NN)nc(Nc1ccc(C)c(C)c1)[nH]2)cc3C	ZINC000000187221	N=c3nc(Nc1ccccc1)[nH]c(Nc2ccccc2)n3
COC(=O)C1=C(O)CCNC1	ZINC000000155325	C1CC=CCN1
CCOC(=O)c2c(N)cc1[nH]c(=S)[nH]c(=O)c1c2c3ccccc3	ZINC000000045585	O=c2[nH]c(=S)[nH]c3cccc(c1ccccc1)c23
N#Cc1nc[nH]c1C#N	ZINC000000090751	c1c[nH]cn1
O=c2[nH]c(c1ccco1)cn3ccnc23	ZINC000000020089	O=c2[nH]c(c1ccco1)cn3ccnc23
NC(=O)CSc1ccc(C(F)(F)F)cn1	ZINC000000081392	c1ccncc1
Cc3n/c(=C/c1ccccc1OCc2ccc(Cl)cc2)c(=O)o3	ZINC000000044183	O=c1ocnc1=Cc2ccccc2OCc3ccccc3
CN(C)c2cc[n+](C(=O)N1CCOCC1)cc2	ZINC000000263631	O=C(N1CCOCC1)[n+]2ccccc2
COC(=O)c2ccc1[nH]cnc1c2	ZINC000000161892	c2ccc1[nH]cnc1c2
CNc1ccc(C#N)cc1N	ZINC000000161891	c1ccccc1
CN2CCN(c1nc(N)c(C#N)c(CC#N)c1C#N)CC2	ZINC000000142726	C2CN(c1ccccn1)CCN2
Fc1ccc(N(=O)=O)c(F)c1Cl	ZINC000000061952	c1ccccc1
CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc2nnc(C)s2	ZINC000000052216	O=C(CSc1ncccn1)Nc2nncs2
OC2CCN(Cc1ccccc1F)CC2	ZINC000000238374	C2CCN(Cc1ccccc1)CC2
Cc1n[nH]c(=O)c2noc(C)c12	ZINC000000122480	O=c1[nH]ncc2conc12
O=C1NCc4c1cc3ccc2OCOc2c3c4c6ccc5OCOc5c6	ZINC000000007322	O=C1NCc4c1cc3ccc2OCOc2c3c4c6ccc5OCOc5c6
COCc1cc(C)nc(NN)c1C#N	ZINC000000245071	c1ccncc1
CC(C)C(=O)NC(=S)N1CCOCC1	ZINC000000081645	C1COCCN1
Cc2nc1ccc(F)cc1c(=O)n2N	ZINC000000143986	O=c1[nH]cnc2ccccc12
NC(=N)c1ccc(O)cc1	ZINC000000154053	c1ccccc1
C=CCN(CC=C)C(=O)COc1ccccc1	ZINC000000030545	c1ccccc1
CCCN(CCC)C(=O)N1CCNC1=O	ZINC000000043511	O=C1NCCN1
O=C2C[C@@H](C(=O)c1ccccc1)CO2	ZINC000000093061	O=C2CC(C(=O)c1ccccc1)CO2
CC(=O)Oc1ccccc1C(=O)Nc2ccccc2C	ZINC000000030100	O=C(Nc1ccccc1)c2ccccc2
C[n+]1ccc(C#N)c2ccccc12	ZINC000000405024	c2ccc1ncccc1c2
O[C@@]3(c1ccc(Cl)cc1)CN2CCCCCC2=[N+]3c4ccccc4	ZINC000000407419	C4CCN3CC(c1ccccc1)[N+](c2ccccc2)=C3CC4
Cc2csc3c(=O)n(CCN1CCSCC1)c(=O)[nH]c23	ZINC000000103095	O=c2[nH]c1ccsc1c(=O)n2CCN3CCSCC3
NCCc2cccc3n(S(=O)(=O)c1ccccc1)ccc23	ZINC000000008954	O=S(=O)(c1ccccc1)n2ccc3ccccc23
NC(=N)c2nc1ccccc1[nH]2	ZINC000000394976	c2ccc1[nH]cnc1c2
ON2CC(c1cccs1)[N+](=O)C2	ZINC000000497187	O=[N+]1CNCC1c2cccs2
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc2ncccn2	ZINC000000034427	O=C(COc1ccccc1)Nc2ncccn2
Nc1ccccc1Cl	ZINC000000164914	c1ccccc1
COC(=O)N=c2[nH]cc(CN1CCCC1)s2	ZINC000000116971	N=c2[nH]cc(CN1CCCC1)s2
COc2ccc1[nH]c(C)cc1c2	ZINC000000135257	c2ccc1[nH]ccc1c2
C[C@@H]2C[C@@H](C)CN(S(=O)(=O)Cc1ccccc1)C2	ZINC000000029829	O=S(=O)(Cc1ccccc1)N2CCCCC2
CCOC(=O)c1c(N)scc1C2CC2	ZINC000000035083	C1CC1c2ccsc2
CCOc2cc(CN1CCSCC1)ccc2O	ZINC000000199627	C2CN(Cc1ccccc1)CCS2
NNc1ncnc2ccsc12	ZINC000000160074	c2ncc1sccc1n2
OC[C@H](CC(=O)NCc1ccccc1)NCc2ccccc2	ZINC000000034176	O=C(CCNCc1ccccc1)NCc2ccccc2
Clc2ccc(CC(=O)Nc1ccccn1)cc2	ZINC000000030754	O=C(Cc1ccccc1)Nc2ccccn2
O=c3n(CN1CCCCC1)cnc4n(CCN2CCCCC2)cnc34	ZINC000000074880	O=c3n(CN1CCCCC1)cnc4n(CCN2CCCCC2)cnc34
NC4=C(C#N)[C@@H](c1ccccc1)c3ccc2cccnc2c3O4	ZINC000000044594	O3C=CC(c1ccccc1)c4ccc2cccnc2c34
Cc2ccc([n+]1noc(=O)[nH]1)cc2	ZINC000000049802	O=c2[nH][n+](c1ccccc1)no2
CN(C)P(N(C)C)N(C)C	ZINC000000154689	nonring
C[C@@H]([C@@H](O)c1ccccc1)[N+](C)(C)Cc2ccccc2	ZINC000000156772	C(Cc1ccccc1)NCc2ccccc2
Clc3ccc(COc2ccc(C=c1[nH]c(=S)[nH]c1=O)cc2)cc3	ZINC000000194150	O=c1[nH]c(=S)[nH]c1=Cc3ccc(OCc2ccccc2)cc3
NNc2ncnc3n(Cc1ccccc1)ncc23	ZINC000000045342	C(c1ccccc1)n2ncc3cncnc23
COc3ccnc(N2CCN(C(=O)c1sccc1F)CC2)n3	ZINC000000017606	O=C(N2CCN(c1ncccn1)CC2)c3cccs3
COc3cc(N(=O)=O)c(c2nc1ccccc1[nH]2)cc3OC	ZINC000000032149	c3ccc(c2nc1ccccc1[nH]2)cc3
C[C@@H]2CCC[N@](C1CCNCC1)C2	ZINC000000299465	C2CCN(C1CCNCC1)CC2
O=C(CCC1CCCC1)N2CCNCC2	ZINC000000245523	O=C(CCC1CCCC1)N2CCNCC2
N#Cc1nccnc1N3CCc2ccccc2CC3	ZINC000000003400	C2Cc1ccccc1CCN2c3cnccn3
COC(=O)c3cc(=O)n2c(c1ccccc1)csc2n3	ZINC000000033813	O=c2ccnc3scc(c1ccccc1)n23
COC(=O)c2cc(N1CCNCC1)nc3ccccc23	ZINC000000033812	C3CN(c2ccc1ccccc1n2)CCN3
COC(=O)c3ccc(CON=c2c(C)nc1ccccc1nc2C)cc3	ZINC000000033816	C(ON=c2cnc1ccccc1nc2)c3ccccc3
C(c1ccncc1)n2ccc3ccccc23	ZINC000000005331	C(c1ccncc1)n2ccc3ccccc23
C2Oc1ccccc1O[C@@H]2CSc4nc3ccccc3[nH]4	ZINC000000053136	C2Oc1ccccc1OC2CSc4nc3ccccc3[nH]4
Fc2ccc(=O)c(=c1\cc[nH][nH]1)/c2	ZINC000000404056	O=c1ccccc1=c2cc[nH][nH]2
C[N+](=O)Cc1ccc(C)cc1	ZINC000000169133	c1ccccc1
C[C@H](N1C(=O)OC(C)(C)[C@@]1(C)O)c2ccccc2	ZINC000000090609	O=C1OCCN1Cc2ccccc2
C2CC=C(N1CCOCC1)C2	ZINC000000391801	C2CC=C(N1CCOCC1)C2
Cc2nc(NC(=O)CNCC1CC1)sc2C	ZINC000000256458	O=C(CNCC1CC1)Nc2nccs2
COC(=O)c2ccc(NC(=S)NC(=O)N1CCOCC1)cc2	ZINC000000027683	O=C(NC(=S)Nc1ccccc1)N2CCOCC2
Cc2nc1CCCCn1c(=O)c2CCN5CCC(c3noc4cc(F)ccc34)CC5	ZINC000000538312	O=c5c(CCN3CCC(c1noc2ccccc12)CC3)cnc4CCCCn45
O=C(CN2N=C(c1ccccc1)CCC2=O)NCCN3CCCC3	ZINC000000219594	O=C(CN2N=C(c1ccccc1)CCC2=O)NCCN3CCCC3
CN1C(=O)[C@@H](CCN)c2ccccc12	ZINC000000518288	O=C2Cc1ccccc1N2
CN(C)C[C@@H](O)[C@H](c1ccccc1)c2cccc(Cl)c2	ZINC000000000161	C(c1ccccc1)c2ccccc2
CN2CCN(C(=O)Nc1ccccc1)CC2	ZINC000000236021	O=C(Nc1ccccc1)N2CCNCC2
CC(=O)O[C@@H]1CN2CCC1CC2	ZINC000000492792	C1CN2CCC1CC2
CCN(CC)CCn1c(=N)n(CCO)c2ccccc12	ZINC000000305750	N=c2[nH]c1ccccc1[nH]2
O/N=C(\C1CCCCC1)c2ccccn2	ZINC000000085397	N=C(C1CCCCC1)c2ccccn2
Clc3ccc(c2noc(C1CCNCC1)n2)cc3	ZINC000000112709	C3CC(c2nc(c1ccccc1)no2)CCN3
CC2=C(C(=O)OC(C)(C)C)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	ZINC000000077669	O2C=CC(c1ccccc1)C=C2
C4CCN(C(On1nnc2ccccc12)=[N+]3CCCC3)C4	ZINC000000395620	C4CCN(C(On1nnc2ccccc12)=[N+]3CCCC3)C4
Cc2cc(\C=C\c1cccs1)cc(C)c2O	ZINC000000004311	C(=Cc1cccs1)c2ccccc2
Nc1ccccc1N	ZINC000000004316	c1ccccc1
CC[C@@H](Oc1ccccc1)C(=O)Nc2nnc(CC)s2	ZINC000000055470	O=C(COc1ccccc1)Nc2nncs2
Clc3cccc(C(=O)N[C@@H]1CN2CCC1CC2)c3	ZINC000000135705	O=C(NC1CN2CCC1CC2)c3ccccc3
C[C@H]1CC(=O)NN=C1c2ccc(N)c(N)c2	ZINC000000055477	O=C2CCC(c1ccccc1)=NN2
Cc2cccc(NC(=O)CSc1nnc(C(F)(F)F)n1C)c2C	ZINC000000049118	O=C(CSc1nnc[nH]1)Nc2ccccc2
Nc2cc1ccccc1cn2	ZINC000000157801	c2ccc1cnccc1c2
CCc2ccc(OC(=O)c1ccccc1Br)cc2	ZINC000000038637	O=C(Oc1ccccc1)c2ccccc2
COc1ccc(Cl)cc1NC(=O)N3CCN(c2ncccn2)CC3	ZINC000000157809	O=C(Nc1ccccc1)N3CCN(c2ncccn2)CC3
Cc2cc(=O)oc3cc(OCC(=O)NC1=NC(=O)CS1)ccc23	ZINC000000048443	O=C(COc2ccc1ccc(=O)oc1c2)NC3=NC(=O)CS3
CCCc3nc(c1ccccn1)c(c2ccccc2C)s3	ZINC000000005807	c3ccc(c1scnc1c2ccccn2)cc3
CCc1c(C)nc(N)nc1Cl	ZINC000000039597	c1cncnc1
OC[C@H](Cc1ccccc1)Nc3ncnc4n(c2ccccc2)ncc34	ZINC000000012959	C(Cc1ccccc1)Nc3ncnc4n(c2ccccc2)ncc34
CC1(C)CC(=NO)CC(C)(C)N1	ZINC000000039941	N=C1CCNCC1
C[N+](C)(C)[C@@H]2[C@@H](O)O[C@H]1[C@@H](O)CO[C@H]12	ZINC000000039940	C2CC1OCCC1O2
Cc2cccc(OCC(=O)Nc1ccc(Br)cn1)c2C	ZINC000000036265	O=C(COc1ccccc1)Nc2ccccn2
O=c2n(c1nncs1)c(=O)c3ccccc23	ZINC000000039948	O=c2n(c1nncs1)c(=O)c3ccccc23
Cc2cc(C)c(S(=O)(=O)NCc1ccncc1)c(C)c2	ZINC000000029599	O=S(=O)(NCc1ccncc1)c2ccccc2
CO/N=C2\COC1(CCN(C)CC1)C2	ZINC000000013601	N=C2COC1(CCNCC1)C2
Cc1nccn1CCCN2C(=O)OC(C)(C)[C@@]2(C)O	ZINC000000108973	O=C1OCCN1CCCn2ccnc2
Cc3ccc(C)c(NC(=O)[C@H]2CN(c1ccccc1)C(=O)C2)c3	ZINC000000044753	O=C2CC(C(=O)Nc1ccccc1)CN2c3ccccc3
CC(C)[C@@](C)(O)C#CCN1CCCCC1	ZINC000000296444	C1CCNCC1
CC(C)NC[C@H](O)COc2ccc(\C=C\c1cc(C)no1)cc2	ZINC000000073965	C(=Cc1ccno1)c2ccccc2
CC12CNCC(C)(CNC1)C2=O	ZINC000000247036	O=C1C2CNCC1CNC2
NC3=C(C#N)C1=CCNC[C@@H]1[C@@H](c2ccccc2)C3(C#N)C#N	ZINC000000048995	C3NCC2C(c1ccccc1)CC=CC2=C3
C[C@H](CNC1CCCCC1)OC(=O)c2ccccc2	ZINC000000000365	O=C(OCCNC1CCCCC1)c2ccccc2
O=C3NC[C@@]1(CN2CCC1CC2)O3	ZINC000000007403	O=C3NCC1(CN2CCC1CC2)O3
Fc4ccc(C(=O)Nc1ccccc1c3nc2ccccc2s3)cc4	ZINC000000067588	O=C(Nc1ccccc1c3nc2ccccc2s3)c4ccccc4
Clc3ccc(C[N@]2CCC[C@@H](NC(=O)CN1CC(=O)[O+]=N1)C2)cc3	ZINC000014953265	O=C(CN1CC(=O)[O+]=N1)NC3CCCN(Cc2ccccc2)C3
CC(=O)Nc2c(C(=O)N1CCCCCC1)cnn2c3ccccc3	ZINC000000063613	O=C(N1CCCCCC1)c3cnn(c2ccccc2)c3
COC(=O)c2nc1ccccn1c2F	ZINC000000116705	c2ccn1ccnc1c2
S=c3[nH]nc(Cn2nnc(c1ccccc1)n2)n3c4ccccc4	ZINC000000029102	S=c3[nH]nc(Cn2nnc(c1ccccc1)n2)n3c4ccccc4
C[C@]12O[C@H](C=C1)[C@@H]4[C@H]2C(=O)N(c3cccc(C(O)=O)c3)C4=O	ZINC000000029106	O=C3C2C1OC(C=C1)C2C(=O)N3c4ccccc4
COc1cccc(OC)c1CN	ZINC000000167032	c1ccccc1
CC(C)(C)c3ccc(c2n/c(=C/c1ccco1)c(=O)o2)cc3	ZINC000000027991	O=c2oc(c1ccccc1)nc2=Cc3ccco3
CCN(CC)CCc1ccncc1	ZINC000000163340	c1ccncc1
C3CN(c1ncnc2ccccc12)CCN3Cc4ccccc4	ZINC000000132613	C3CN(c1ncnc2ccccc12)CCN3Cc4ccccc4
Cc2nc(C1=CCCNC1)co2	ZINC000000010807	C2CC=C(c1cocn1)CN2
COc3ccc(C(N1CCNCC1)N2CCNCC2)cc3	ZINC000019319022	C3CN(C(N1CCNCC1)c2ccccc2)CCN3
CC[n+]1ccnc2ccccc12	ZINC000000331262	c2ccc1nccnc1c2
C[n+]1ccc(N)c2ccccc12	ZINC000000331261	c2ccc1ncccc1c2
CCOC(=O)[C@@]3(CC)C[C@@H](CSc2nc1ccccc1[nH]2)OC3=O	ZINC000000034337	O=C3CCC(CSc2nc1ccccc1[nH]2)O3
CN(C)c2ccc(\C=N\NS(=O)(=O)c1ccc(Cl)cc1)cc2	ZINC000000071930	O=S(=O)(NN=Cc1ccccc1)c2ccccc2
O=C2CCSc3ccc1ccccc1c23	ZINC000000053489	O=C2CCSc3ccc1ccccc1c23
O=c1[nH][nH]c(=S)[nH]c2ccccc12	ZINC000000145322	O=c1[nH][nH]c(=S)[nH]c2ccccc12
O=C2C[C@@H](C(=O)NCCN1CCCC1)CN2C3CCCCC3	ZINC000000220427	O=C2CC(C(=O)NCCN1CCCC1)CN2C3CCCCC3
COc1ccccc1n3c(=O)c(Cl)c(Nc2ccccc2O)c3=O	ZINC000000142118	O=c2cc(Nc1ccccc1)c(=O)n2c3ccccc3
NC(=O)CCNC23CC1CC(CC(C1)C2)C3	ZINC000000034638	C1C2CC3CC1CC(C2)C3
CC2(C)CC(=O)C=C(Nc1ccc(S(N)(=O)=O)cc1)C2	ZINC000000050978	O=C2CCCC(Nc1ccccc1)=C2
CC(=C)n1nc[n+](C(C)(C)C)n1	ZINC000000499498	c1nn[nH]n1
Clc3ccc(\C=C\c2cc[n+](C(=O)N1CCOCC1)cc2)cc3	ZINC000000173476	O=C(N1CCOCC1)[n+]3ccc(C=Cc2ccccc2)cc3
CC(C)c1cc(OC(C)=O)c(C)cc1OCCN(C)C	ZINC000000057401	c1ccccc1
C[C@H]1C[N+](C)(CC=C)[C@H](C)CC1=O	ZINC000000500872	O=C1CCNCC1
O=C2CCC[C@@H](c1cccnc1)N2	ZINC000000343488	O=C2CCCC(c1cccnc1)N2
CN(C)CCNc2ncnc3n(c1ccccc1)ncc23	ZINC000000487759	c3ccc(n1ncc2cncnc12)cc3
CCN1CCC3(CC1)C[C@@H]2C[C@@H]4O[C@@]2(CN3C(C)=O)C=C4	ZINC000000444298	C1CC3(CCN1)CC2CC4OC2(CN3)C=C4
COc1cc(C(=O)OCCN(C)C)cc(OC)c1OC	ZINC000000489517	c1ccccc1
COc1ccc(C(=S)NN)cc1	ZINC000000028271	c1ccccc1
Nc1ccc(Cl)nc1Cl	ZINC000000163268	c1ccncc1
Cc1cc(C)nc(NN)n1	ZINC000000139160	c1cncnc1
Cc1ccccc1C(=O)O/N=C(\c2ccccc2)c3ccccn3	ZINC000000079833	O=C(ON=C(c1ccccc1)c2ccccn2)c3ccccc3
COc1ccccc1C(=O)c3cc2OCCOc2cc3Br	ZINC000000134918	O=C(c1ccccc1)c3ccc2OCCOc2c3
COc3ccc(c1nnc2ccc(C(F)(F)F)cn12)c(OC)c3	ZINC000000049475	c3ccc(c1nnc2ccccn12)cc3
CCOC(=O)N2CCN(S(=O)(=O)c1ccc(C)cc1)C2	ZINC000000049476	O=S(=O)(N1CCNC1)c2ccccc2
CC(C)(CO)NC(=O)c2cccc(S(=O)(=O)N1CCOCC1)c2	ZINC000000060876	O=S(=O)(N1CCOCC1)c2ccccc2
O[C@@H](CN2CCN(Cc1ccccc1)CC2)c3ccc(N(=O)=O)cc3	ZINC000000446528	C2CN(Cc1ccccc1)CCN2CCc3ccccc3
Nc1nnnn1CC(=O)OCc2cccc(Br)c2	ZINC000000032773	O=C(Cn1cnnn1)OCc2ccccc2
CS(=O)(=O)Nc2cc1CCC(=O)c1cc2Sc3cccs3	ZINC000000018924	O=C2CCc3ccc(Sc1cccs1)cc23
Cn2c(CSc1ccccn1)ncc2N(=O)=O	ZINC000000001962	C(Sc1ccccn1)c2ncc[nH]2
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccc(CO)n2	ZINC000000001960	O=C(COc1ccccc1)OCc2ccccn2
O=C1NCCNC3=C1CN(Cc2ccccc2)C3=O	ZINC000000041458	O=C1NCCNC3=C1CN(Cc2ccccc2)C3=O
COc2ccc(NCC(C#N)C(=O)NCc1ccc(Cl)cc1)cc2	ZINC000000031603	O=C(CCNc1ccccc1)NCc2ccccc2
COC(=O)Nc1ccc(F)cc1	ZINC000000243830	c1ccccc1
Clc1ncccc1C#N	ZINC000000091827	c1ccncc1
CSc2n/c(=C/c1ccco1)c(=O)[nH]2	ZINC000000134706	O=c1[nH]cnc1=Cc2ccco2
CCCc1cc(=O)oc2n[nH]c(C)c12	ZINC000000091823	O=c2ccc1c[nH]nc1o2
CCOC(=O)[C@@H]1CCC[N@]1Cc2ccccc2	ZINC000000056824	C2CCN(Cc1ccccc1)C2
CC(C)(C)[C@H](CN1CCCC1)OC(=O)c2ccccc2	ZINC000000111481	O=C(OCCN1CCCC1)c2ccccc2
COCc4cc(C)nc5sc2c(nnn3c1ccccc1nc23)c45	ZINC000000032550	c1ccc4c(c1)nc5c3sc2ncccc2c3nnn45
CN2CCN(c1nc(C(C)(C)C)cs1)CC2	ZINC000000002127	C2CN(c1nccs1)CCN2
CN(C)CCn3nc(Cc1ccccc1)c2ccccc2c3=O	ZINC000000002122	O=c2[nH]nc(Cc1ccccc1)c3ccccc23
C(N[n+]2cnn(Cc1ccccc1)c2)c3ccccc3	ZINC000000242786	C(N[n+]2cnn(Cc1ccccc1)c2)c3ccccc3
C[C@H]2CCC[N@@](C[C@H](O)COc1ccc(C)cc1C)C2	ZINC000000240336	C2CCN(CCCOc1ccccc1)CC2
CC(=O)Nc2ccc1c(C)ccnc1c2	ZINC000000002435	c2ccc1ncccc1c2
COc3ccc(Nc2nc(N)nc(C[N@@](C)C1CCCCC1)n2)cc3	ZINC000000200068	C3CCC(NCc2ncnc(Nc1ccccc1)n2)CC3
CC[N@@](CC(C)=C)Cc1ccc(N(=O)=O)s1	ZINC000000041066	c1ccsc1
Cc2nc1NC(=O)Cc1cc2c3ccncc3	ZINC000000015627	O=C3Cc2cc(c1ccncc1)cnc2N3
CCN2CCN(C(=O)c1ccc(F)cc1)CC2	ZINC000000041063	O=C(N1CCNCC1)c2ccccc2
COc3ccc([C@@H]2CC(c1cccs1)=NN2C(N)=S)cc3OC	ZINC000000076452	C2C(c1ccccc1)NN=C2c3cccs3
COc2cc1nc(N)nc(N)c1cc2OC	ZINC000000389291	c2ccc1ncncc1c2
O=c2n(CC[n+]1ccccc1)cnc3ccccc23	ZINC000000389296	O=c2n(CC[n+]1ccccc1)cnc3ccccc23
Cc2nn(c1ccccc1)c3[n+](C)cccc23	ZINC000000151227	c3ccc(n1ncc2cccnc12)cc3
N[C@@H](CC(=O)c1ccccc1)C(O)=O	ZINC000000019523	c1ccccc1
CC[C@H](C)N2[C@@H]1NC(=O)N[C@@H]1NC2=O	ZINC000000073423	O=C2NC1NC(=O)NC1N2
Cc1cc(Br)ccc1O	ZINC000000054688	c1ccccc1
C[C@@H](N)Cc1[nH]nc2ccc(O)cc12	ZINC000000027231	c2ccc1n[nH]cc1c2
CCOC(=O)C(C(C)N)=C2CC(=O)N(c1ccccc1)C2=O	ZINC000000067619	C=C2CC(=O)N(c1ccccc1)C2=O
O=c4cccc3[C@H]2C[C@H](C[N@@](C[C@@H]1CO1)C2)Cn34	ZINC000000517883	O=c4cccc3C2CC(CN(CC1CO1)C2)Cn34
CN(C)c2cccc(NC(=O)c1ccc(C(C)(C)C)cc1)c2	ZINC000000036079	O=C(Nc1ccccc1)c2ccccc2
Cc2cc(C(=O)NCCN1CCCCC1)no2	ZINC000000128537	O=C(NCCN1CCCCC1)c2ccon2
OC(=O)\C=C\C(=O)N1CCOCC1	ZINC000000039717	C1COCCN1
Cn2c(=O)[nH]c(=O)c3n(CCN1CCCCC1)cnc23	ZINC000000067617	O=c3[nH]c(=O)c2n(CCN1CCCCC1)cnc2[nH]3
NNc2nnc(Cl)c1CCCCc12	ZINC000000039712	C2CCc1cnncc1C2
C4Cc1ccccc1[C@@H](CNC[C@@H]3COc2ccccc2O3)O4	ZINC000000186665	C4Cc1ccccc1C(CNCC3COc2ccccc2O3)O4
COC(=O)c1ccc(NN)cc1	ZINC000000039711	c1ccccc1
Cc2nc1ccccc1c(N)c2CO	ZINC000000009782	c2ccc1ncccc1c2
C[C@@H](O)c2c(C)nc1ccccc1c2N	ZINC000000009783	c2ccc1ncccc1c2
COc2cc(S(=O)(=O)N1CCC(C)CC1)ccc2Cl	ZINC000000036383	O=S(=O)(N1CCCCC1)c2ccccc2
CC[C@@H](CO)NC[C@@H](O)Cn1c(C)c(C)c2ccccc12	ZINC000000106240	c2ccc1[nH]ccc1c2
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000000029698	c1ccccc1
C2CN=C(Cc1ccccc1)N2	ZINC000000125006	C2CN=C(Cc1ccccc1)N2
COc2ccc(/N=C/c1ccc(O)c(OC)c1)cc2	ZINC000000046482	C(=Nc1ccccc1)c2ccccc2
Fc3ccc(N2C(=O)C[C@@H](NCc1ccccn1)C2=O)cc3	ZINC000000250377	O=C2CC(NCc1ccccn1)C(=O)N2c3ccccc3
C[N+](C)(C)C/C=C1/COCO1	ZINC000000251364	C=C1COCO1
CC(=O)NCc1ccccc1	ZINC000000061519	c1ccccc1
NCc2csc(c1cccs1)n2	ZINC000000158694	c2csc(c1nccs1)c2
OC2(Cc1ccccc1)CCNCC2	ZINC000000160306	C2CC(Cc1ccccc1)CCN2
Nc2c1CCCCc1nc3cc(F)ccc23	ZINC000000010124	C3CCc2nc1ccccc1cc2C3
NC(=S)Nc2nsc(c1ccccc1)n2	ZINC000000009161	c2ccc(c1ncns1)cc2
CC3(C)CC(NC(=O)c2cc1ccccc1oc2=O)CC(C)(C)N3	ZINC000000067265	O=C(NC1CCNCC1)c3cc2ccccc2oc3=O
CC1=NCCc2c1[nH]c3cc(O)ccc23	ZINC000000058176	C1Cc2c(C=N1)[nH]c3ccccc23
Cc4ccc3n(C[C@@H](O)Cn1ccnc1C)c2C(=O)CCCc2c3c4	ZINC000000572134	O=C1CCCc3c1n(CCCn2ccnc2)c4ccccc34
CN2CCC([N@@](C)Cc1cccc(N(=O)=O)c1)CC2	ZINC000000201850	C2CC(NCc1ccccc1)CCN2
COc3ccc2[nH]cc(CCNC(=O)[C@@H]1CCCO1)c2c3	ZINC000000026547	O=C(NCCc1c[nH]c2ccccc12)C3CCCO3
CCCC(=O)NOCc1cccc2ccc(OC)cc12	ZINC000000021040	c2ccc1ccccc1c2
C[N+]3(CCC[N+]2(C)Cc1ccccc1C2)CCOCC3	ZINC000001677254	C(CN1CCOCC1)CN3Cc2ccccc2C3
CN4CCN(c2ncnc3scc(c1ccc(C)cc1)c23)CC4	ZINC000000098372	C4CN(c2ncnc3scc(c1ccccc1)c23)CCN4
CC(C)NC[C@@H](O)c1ccccc1Cl	ZINC000000000178	c1ccccc1
CC2CCC([N@]1CCC[C@@H]1CO)CC2	ZINC000000217509	C2CCC(N1CCCC1)CC2
CC(C)c3c(C)c(C#N)c2nc1ccccc1n2c3N4CCOCC4	ZINC000000045610	C4CN(c2cccc3nc1ccccc1n23)CCO4
CC3CCN(CC(=O)Nc2sc1CCCc1c2C(N)=O)CC3	ZINC000000090014	O=C(CN1CCCCC1)Nc3cc2CCCc2s3
FC(F)(F)c2cccc(NC(=O)CSC1=NCCN1)c2	ZINC000000141834	O=C(CSC1=NCCN1)Nc2ccccc2
NCCc1n[nH]c(CO)n1	ZINC000000262697	c1nc[nH]n1
Cn2cc(OC[C@H](O)CNC(C)(C)C)c1ccccc1c2=O	ZINC000000004698	O=c1[nH]ccc2ccccc12
Nc2nc(C1CC1)cs2	ZINC000000036924	C1CC1c2cscn2
CC1(C)C(C(=O)NCC(N)=O)C1(C)C	ZINC000000020315	C1CC1
O=C1CN2CCC1CC2	ZINC000000164555	O=C1CN2CCC1CC2
COc1ccccc1OCC(=O)N2CCNC2=O	ZINC000000037037	O=C(COc1ccccc1)N2CCNC2=O
CNC(=S)N1CCCCC1	ZINC000000075486	C1CCNCC1
Cc2cccc(CN1CCC(O)CC1)c2	ZINC000000237782	C2CCN(Cc1ccccc1)CC2
O=C1NCCN1C(=O)C(c2ccccc2)c3ccccc3	ZINC000000037038	O=C1NCCN1C(=O)C(c2ccccc2)c3ccccc3
COc1ccccc1\C=N\n2c(=O)c4cccc3cccc(c2=O)c34	ZINC000000059220	O=c2n(N=Cc1ccccc1)c(=O)c4cccc3cccc2c34
CC2(C)CC(=O)[C@@H]([C@@H](O)c1ccccc1)C(C)(C)N2	ZINC000000052236	O=C1CCNCC1Cc2ccccc2
N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(O)=O	ZINC000000057299	c1ccccc1
C[C@@]2(c1ccccc1)O[C@@H]2C#N	ZINC000000162227	C1OC1c2ccccc2
CC2(C(=O)Nc1ccc(F)cc1)CC2	ZINC000000052947	O=C(Nc1ccccc1)C2CC2
C[C@@H](N)C(=O)c1ccco1	ZINC000000235786	c1ccoc1
COc2cc(OC)cc([N+]1(C)CCOCC1)c2	ZINC000000396330	C2CN(c1ccccc1)CCO2
COC(=O)C1=C(N)OC3=C([C@@H]1c2cccc(F)c2)C(=O)CCC3	ZINC000000062225	O=C1CCCC3=C1C(c2ccccc2)C=CO3
C[C@H]2C\C(=N\OC(=O)c1ccc(Br)cc1)[C@H](C)C[N@]2C	ZINC000000235781	O=C(ON=C1CCNCC1)c2ccccc2
Cc3cc2ncn(S(=O)(=O)c1ccccc1N(=O)=O)c2cc3C	ZINC000000053252	O=S(=O)(c1ccccc1)n2cnc3ccccc23
COc3cc(NC(=S)NCc2ccc1OCOc1c2)cc(OC)c3	ZINC000000306914	S=C(NCc2ccc1OCOc1c2)Nc3ccccc3
Cc2nc1ccccc1n2S(C)(=O)=O	ZINC000000030383	c2ccc1[nH]cnc1c2
OC(=O)c1ccn(=O)cc1	ZINC000000406920	O=n1ccccc1
CCOc1ccccc1O[C@H]([C@@H]2CNCCO2)c3ccccc3	ZINC000000006923	C3COC(C(Oc1ccccc1)c2ccccc2)CN3
CC(C)CCNC(=O)c1ccccc1Cl	ZINC000000030389	c1ccccc1
CC2(C)NN(c1ccccc1)C(=S)N2	ZINC000000197952	S=C1NCNN1c2ccccc2
CCOC(=O)c2ccc(NC(=S)NCCN1CCC(C)CC1)cc2	ZINC000000614286	S=C(NCCN1CCCCC1)Nc2ccccc2
O=C(CN1CCCCC1)N[C@@H]3CCc4cc2CCCc2cc34	ZINC000000347540	O=C(CN1CCCCC1)NC3CCc4cc2CCCc2cc34
O=C1OCc2c1[nH]c(=O)[nH]c2=O	ZINC000000031381	O=C1OCc2c1[nH]c(=O)[nH]c2=O
CC(=O)N2CCN(CCOc1ccc(CCN)cc1)CC2	ZINC000037050103	C2CN(CCOc1ccccc1)CCN2
O=C(N3CCN(c2ccnc(N1CCCCC1)n2)CC3)c4ccccc4	ZINC000000605304	O=C(N3CCN(c2ccnc(N1CCCCC1)n2)CC3)c4ccccc4
Cc2cc(Nc1ccc(F)cc1F)nc(N)n2	ZINC000000089189	N(c1ccccc1)c2ccncn2
Cc2cc(Nc1ccc(F)c(Cl)c1)nc(N)n2	ZINC000000089184	N(c1ccccc1)c2ccncn2
NC(=O)c1c(N)cccc1F	ZINC000000154077	c1ccccc1
Cc1[nH]c(C)c2c(=O)n(C)ncc12	ZINC000000114452	O=c1[nH]ncc2c[nH]cc12
COc3ccc(OCc2nc(C#N)c(N[C@@H](C)c1ccccc1)o2)cc3	ZINC000000108176	C(Nc2cnc(COc1ccccc1)o2)c3ccccc3
COc2ccc(S(=O)(=O)n1ccnc1C)cc2	ZINC000000051411	O=S(=O)(c1ccccc1)n2ccnc2
Cc2ccc([C@@H](O)c1nccn1C)o2	ZINC000000038543	C(c1ccco1)c2ncc[nH]2
Cc2nc(NC(=O)c1ccccc1Br)sc2C	ZINC000000035716	O=C(Nc1nccs1)c2ccccc2
CCc1ccc(C(C)=O)s1	ZINC000000035867	c1ccsc1
COc1cscc1C(N)=O	ZINC000000095821	c1ccsc1
CN(C)C(=O)Cn2c(c1ccc(C(F)(F)F)cc1)nc3cccnc23	ZINC000000002336	c3ccc(c2nc1cccnc1[nH]2)cc3
CNC(=O)Cn2c(c1ccc(Cl)cc1)nc3cccnc23	ZINC000000002334	c3ccc(c2nc1cccnc1[nH]2)cc3
COc3ccc(CC(=O)NN2CCN(c1ccccc1)CC2)cc3	ZINC000000101364	O=C(Cc1ccccc1)NN3CCN(c2ccccc2)CC3
NC(=O)C3CCN(Cc2nc(c1ccccc1)no2)CC3	ZINC000000200215	C3CCN(Cc2nc(c1ccccc1)no2)CC3
CCOC(=O)C2=C(OC)C(=O)N(C1CCCCC1)C2	ZINC000000041590	O=C1C=CCN1C2CCCCC2
Cc2cc(NCc1ccco1)ncn2	ZINC000000126854	C(Nc1ccncn1)c2ccco2
Cc2ccc(OC[C@@H](O)CN1CCC(C(N)=O)CC1)c(N(=O)=O)c2	ZINC000000119233	C2CCN(CCCOc1ccccc1)CC2
CC3CCC(N2CCN(C(=O)c1cccc(F)c1)CC2)CC3	ZINC000000239041	O=C(N2CCN(C1CCCCC1)CC2)c3ccccc3
Cc2nc(c1cccc(N(=O)=O)c1)no2	ZINC000000050503	c2ccc(c1ncon1)cc2
Fc2cccc(CN1CCNC1=S)c2	ZINC000000010251	S=C1NCCN1Cc2ccccc2
CCC2=C[C@@](O)(C(F)(F)F)N(C(=O)c1cccc(C)c1)N2	ZINC000000064362	O=C(N1CC=CN1)c2ccccc2
COc2cc(C(=O)NN1CCN(C)CC1)cc(OC)c2OC	ZINC000000168530	O=C(NN1CCNCC1)c2ccccc2
COC(=O)c2ccc(NC(=O)c1ccc(N)cc1)cc2	ZINC000000050505	O=C(Nc1ccccc1)c2ccccc2
Cn3c([n+]1ccccc1)c(C=O)n(c2ccccc2)c3=O	ZINC000000042621	O=c2[nH]c([n+]1ccccc1)cn2c3ccccc3
OCCN3CCC(OC(=O)C(c1ccccc1)c2ccccc2)CC3	ZINC000000409587	O=C(OC1CCNCC1)C(c2ccccc2)c3ccccc3
O=Cc1ccc(C#N)cc1	ZINC000000156750	c1ccccc1
CN(C)c2ccc(C(=S)N1CCNCC1)cc2	ZINC000000302349	S=C(N1CCNCC1)c2ccccc2
C[n+]1ccccc1COc2ccc(\C=N\O)cc2	ZINC000000337568	C(Oc1ccccc1)c2ccccn2
CN1C(=O)CC[C@@]1(O)c2ccccc2	ZINC000000209051	O=C2CCC(c1ccccc1)N2
C2CN=C(c1ccoc1)N2	ZINC000000152432	C2CN=C(c1ccoc1)N2
CCC(=O)c2c1CCCc1c(C)nc2N3CCOCC3	ZINC000000385880	C3Cc2cnc(N1CCOCC1)cc2C3
CN(C)Cc2nc(c1c(Cl)cccc1Cl)no2	ZINC000000165973	c2ccc(c1ncon1)cc2
Cc1cc(Cl)ccc1OCC(=O)Nc3ccc(C(=O)OC2CCCCC2)cc3	ZINC000000622444	O=C(COc1ccccc1)Nc3ccc(C(=O)OC2CCCCC2)cc3
CCOC(=O)[C@@H]2CCC[N@@](CCC(=O)Nc1ccccc1C)C2	ZINC000000256744	O=C(CCN1CCCCC1)Nc2ccccc2
Cc5ccnc(N4CCN(CCc1c(C)n3CCCc2cccc1c23)CC4)c5	ZINC000000598506	C3Cc4cccc5c(CCN2CCN(c1ccccn1)CC2)cn(C3)c45
CN(C)Cc2cc(CCNC(=O)c1ccc(Cl)cc1)ccc2O	ZINC000000210059	O=C(NCCc1ccccc1)c2ccccc2
CC2CCN(CCC(=O)Nc1nccs1)CC2	ZINC000000210057	O=C(CCN1CCCCC1)Nc2nccs2
Cc3ncc2CN(c1ccccc1)Cc2c3O	ZINC000000005312	C2N(c1ccccc1)Cc3cnccc23
Cc2ccc(C)c(N(CC(=O)NCc1ccncc1)S(C)(=O)=O)c2	ZINC000000307085	O=C(CNc1ccccc1)NCc2ccncc2
N[C@@H](CO)C1CCCCC1	ZINC000000391869	C1CCCCC1
COc2c(Sc1ccc(N(=O)=O)cc1)c(C)nn2c3ccccc3	ZINC000000083110	S(c1ccccc1)c3cnn(c2ccccc2)c3
CC[C@@H](C(=O)O[C@@H]1CN2CCC1CC2)c3ccccc3	ZINC000000192654	O=C(Cc1ccccc1)OC2CN3CCC2CC3
NCCc2c[nH]c3ccc(Cc1nc(N)no1)cc23	ZINC000000014696	C(c2ccc1[nH]ccc1c2)c3ncno3
NCc1ccncc1	ZINC000000158598	c1ccncc1
O[C@@]([C@@H]1CN2CCC1CC2)(c3ccccc3)c4cccs4	ZINC000000204014	C1CN4CCC1C(C(c2ccccc2)c3cccs3)C4
C\C(=C\CCN1CCC3(CC1)N(c2ccccc2)CNC3=O)c4ccc(F)cc4	ZINC000000538370	O=C2NCN(c1ccccc1)C24CCN(CCC=Cc3ccccc3)CC4
N=C(NC(=S)Nc1ccccc1)N2CCOCC2	ZINC000000085403	N=C(NC(=S)Nc1ccccc1)N2CCOCC2
CN3CCN(C(=O)c2ccc1OCCOc1c2)CC3	ZINC000000108109	O=C(N1CCNCC1)c3ccc2OCCOc2c3
CCOC(=O)c1ccccc1NC(=O)c2cncc(Br)c2	ZINC000000362662	O=C(Nc1ccccc1)c2cccnc2
C[S@@](=O)c1ccccc1Cl	ZINC000000161225	c1ccccc1
CCOC(=O)Cn1nnnc1c2ccco2	ZINC000000014027	c2coc(c1nnn[nH]1)c2
CCNC(=O)n1cc(Cl)cn1	ZINC000000138600	c1cn[nH]c1
NCc1cc(F)cc(F)c1	ZINC000000403169	c1ccccc1
COC(=O)[C@H](C1CCCC1)C(=O)NC[C@@H]2CCCO2	ZINC000000033760	O=C(CC1CCCC1)NCC2CCCO2
Fc3cccc(COc2ccc(CN[C@@H]1CCCNC1=O)cc2)c3	ZINC000000022077	O=C1NCCCC1NCc3ccc(OCc2ccccc2)cc3
CSc1[nH]c(=O)nnc1C	ZINC000000162706	O=c1nncc[nH]1
COc1ccc(Cl)cc1NN	ZINC000000093285	c1ccccc1
COc3cc(CNc2nc1ccccc1n2C)cc(OC)c3OC	ZINC000000068015	C(Nc2nc1ccccc1[nH]2)c3ccccc3
NC(=O)C2c1ccccc1C=Cc3ccccc23	ZINC000000001162	C2c1ccccc1C=Cc3ccccc23
C3CN=C(COc1ccccc1C2CC2)N3	ZINC000000001160	C3CN=C(COc1ccccc1C2CC2)N3
C[N@]3CC[C@H]2Nc1ccc(C)cc1[C@@H]2C3	ZINC000000001161	C3CC2Nc1ccccc1C2CN3
Cc2cc(N)n1nc(C)cc1n2	ZINC000000208676	c2cnc1ccnn1c2
CC(C)Cc2nc1cc(N(=O)=O)ccc1[nH]2	ZINC000000049133	c2ccc1[nH]cnc1c2
CC[C@H](OC(C)=O)C#CCN1CCCCC1	ZINC000000208678	C1CCNCC1
CCC(=O)NCCc1cccc2ccccc12	ZINC000000016874	c2ccc1ccccc1c2
CCOc3ccc(NC(=O)[C@@H]2CN(c1ccc(F)cc1)C(=O)C2)cc3	ZINC000000044730	O=C2CC(C(=O)Nc1ccccc1)CN2c3ccccc3
O=C(NCC1CCNCC1)Nc3nc2ccccc2s3	ZINC000000252732	O=C(NCC1CCNCC1)Nc3nc2ccccc2s3
CC1(C)CC(N)CC(C)(C)N1O	ZINC000000388403	C1CCNCC1
Cc2cc1occ(C#N)c(=O)c1cc2Cl	ZINC000000057929	O=c1ccoc2ccccc12
C[C@@H](O)C(Cl)(Cl)Cl	ZINC000001722613	nonring
O=S2c1ccccc1Oc3ccccc23	ZINC000000059761	O=S2c1ccccc1Oc3ccccc23
CC(C)NC[C@@H](O)c1ccc(O)c2ncccc12	ZINC000000000690	c2ccc1ncccc1c2
Clc2ccc(NC(=O)c1cccs1)nc2	ZINC000000039968	O=C(Nc1ccccn1)c2cccs2
COC(=O)C1=C(N)OC3=C([C@@H]1c2cccs2)C(=O)CC(C)(C)C3	ZINC000000036715	O=C1CCCC3=C1C(c2cccs2)C=CO3
O[C@@]4(c1ccccc1)CN(Cc2ccccc2)c3cccc[n+]34	ZINC000000407657	C3C(c1ccccc1)[n+]2ccccc2N3Cc4ccccc4
CC(=O)n2[nH]c(=O)n(c1ccccc1)c2=O	ZINC000000004194	O=c1[nH][nH]c(=O)n1c2ccccc2
CC[N+](C)(C)c1cccc(O)c1	ZINC000000001341	c1ccccc1
CCn2cc(C(N)=O)c(=O)c3ccc(c1ccncc1)cc23	ZINC000000013626	O=c2cc[nH]c3cc(c1ccncc1)ccc23
CCn3cc2[nH]c(N1CCNCC1)ncc2c3=O	ZINC000000013627	O=c2[nH]cc3[nH]c(N1CCNCC1)ncc23
CC[N+](C)(C)Cc1cccc(OC)c1	ZINC000000001348	c1ccccc1
CCOc2c(N1CCOCC1)cnn(C)c2=O	ZINC000000001349	O=c2cc(N1CCOCC1)cn[nH]2
CN[C@@]1(C)[C@H](C(C)C)CC[C@]1(C)O	ZINC000000099709	C1CCCC1
COc2ccc(CNC[C@@H](O)CSc1ccc(OC)cc1)cc2	ZINC000000108910	C(CNCc1ccccc1)CSc2ccccc2
Cc3cc[n+](CCOn2c(=O)c1ccccc1c2=O)cc3	ZINC000000406269	O=c2n(OCC[n+]1ccccc1)c(=O)c3ccccc23
Cn2c(N)c(C(=O)CNC1CCCCC1)c(=O)n(C)c2=O	ZINC000000141334	O=C(CNC1CCCCC1)c2c[nH]c(=O)[nH]c2=O
Cn1ccnc1[C@@H](O)c2cccs2	ZINC000000064956	C(c1cccs1)c2ncc[nH]2
COc3ccc(NC2=CC(=O)C[C@@H](c1ccc(C)cc1)C2)c(OC)c3	ZINC000000305481	O=C3CC(c1ccccc1)CC(Nc2ccccc2)=C3
CC12CCCC(C(N)=O)(CCC1)C2	ZINC000000136299	C1CC2CCCC(C1)C2
CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1	ZINC000000020783	c1ccccc1
Nc2nc1ccccc1n2CCOc3ccc(N(=O)=O)cc3	ZINC000000239238	C(Cn1cnc2ccccc12)Oc3ccccc3
COCc3cc(C)nc(N2CCN(Cc1ccccc1)CC2)c3C#N	ZINC000000350608	C2CN(c1ccccn1)CCN2Cc3ccccc3
CC(C)n3c(=O)[n+](C)c(c1ccccc1)c4cc2OCOc2cc34	ZINC000000398993	O=c4nc(c1ccccc1)c3cc2OCOc2cc3[nH]4
C[C@@H]2CN=C(NCc1ccccn1)S2	ZINC000000063638	C2CN=C(NCc1ccccn1)S2
CC2(C)COC(C1CCNCC1)OC2	ZINC000000161912	C2COC(C1CCNCC1)OC2
NCc1cc(Cl)cc(Cl)c1	ZINC000000167016	c1ccccc1
CCN1CCC[C@@H]1CNS(=O)(=O)c2cc(Cl)c(N)cc2OC	ZINC000000000430	O=S(=O)(NCC1CCCN1)c2ccccc2
Cc1ccccc1OC[C@@H](O)CN2C(C)(C)CCC2(C)C	ZINC000000000434	C2CCN(CCCOc1ccccc1)C2
C[n+]1cccc(N)c1	ZINC000000335002	c1ccncc1
C[n+]1c(SCC(O)=O)sc2ccccc12	ZINC000000040419	c2ccc1scnc1c2
CC(C)Sc1nnc(N)s1	ZINC000000017831	c1nncs1
COC(=O)c1c[n+](C)ccc1SC	ZINC000000335004	c1ccncc1
CCOC(=O)c2ccc(NC(=O)NC1CCN(C)CC1)cc2	ZINC000000609109	O=C(NC1CCNCC1)Nc2ccccc2
Cc4ccc(O)c([C@H]2Nc1ccccc1NC3=C2C(=O)CC(C)(C)C3)c4	ZINC000000090271	O=C1CCCC4=C1C(c2ccccc2)Nc3ccccc3N4
CC(C)(O)[C@@]2(O)C[C@@H](c1ccccc1)NO2	ZINC000000092578	C2CC(c1ccccc1)NO2
CCN(CC)CCSc3nnc2c1ccccc1n(C)c2n3	ZINC000000175632	c1ccc2c(c1)[nH]c3ncnnc23
Fc1ccccc1NC(=O)Cn2cncc2c3ccc(N(=O)=O)cc3	ZINC000000056339	O=C(Cn1cncc1c2ccccc2)Nc3ccccc3
Clc3ccc(OCc1ccccc1Cl)c(CNc2nc[nH]n2)c3	ZINC000000056338	C(Nc1nc[nH]n1)c2ccccc2OCc3ccccc3
NC(=O)c2ccc(OC1CSC1)cc2	ZINC000000053972	C1SCC1Oc2ccccc2
COc3ccc(S(=O)(=O)N1CCCc2ccccc12)cc3OC	ZINC000000006775	O=S(=O)(N1CCCc2ccccc12)c3ccccc3
Cc2cc1C[N+](=O)C(C)(C)CCc1c(C)c2O	ZINC000000006772	O=[N+]2CCCc1ccccc1C2
C[C@H](N)Cn2ccc3ccc1cnccc1c23	ZINC000000025579	c3cc2c(ccc1cc[nH]c12)cn3
CC2CCN(C[C@@H](O)COCc1ccccc1)CC2	ZINC000000124625	C2CCN(CCCOCc1ccccc1)CC2
NCC(=O)N1CCC(O)CC1	ZINC000019510797	C1CCNCC1
Fc3ccc(NC(=O)CCN2CCN(c1ccccn1)CC2)cc3	ZINC000000224521	O=C(CCN2CCN(c1ccccn1)CC2)Nc3ccccc3
Fc4ccc(CN2C(=O)C1(OCCCO1)c3ccccc23)c(Cl)c4	ZINC000000217585	O=C3N(Cc1ccccc1)c2ccccc2C34OCCCO4
N=c1ccccn1Cc2ccccn2	ZINC000000028252	N=c1ccccn1Cc2ccccn2
Nc2ccc(OC[C@@H](O)C[n+]1ccccc1)cc2	ZINC000000028255	C(COc1ccccc1)C[n+]2ccccc2
C=CCN1CCC(=O)Nc2ccccc12	ZINC000000084330	O=C2CCNc1ccccc1N2
COC[C@@H](C)NS(=O)(=O)c1ccccc1	ZINC000000030976	c1ccccc1
Cc2cc(NC(=O)c1cccs1)no2	ZINC000000030970	O=C(Nc1ccon1)c2cccs2
C[N@]1CC[C@@](C)(O)[C@@H](C(C)=O)C1	ZINC000000195129	C1CCNCC1
CN5CCN(c3c1CCCc1c(C#N)c4nc2ccccc2n34)CC5	ZINC000000135264	C5Cc4cc2nc1ccccc1n2c(N3CCNCC3)c4C5