smiles	Name	sa_score
Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-]	ZINC21984717	3.166
Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=[NH2+])n(C)c2)n(C)c1	ZINC03872327	3.328
OC(c1ccncc1)c1ccc(OCC[NH+]2CCCC2)cc1	ZINC34421620	3.822
CC(C(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC00000361	2.462
C[NH+](C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	ZINC00626529	3.577
NC(=[NH2+])NCC1COc2ccccc2O1	ZINC00000357	3.290
CCC(C)(C)[NH2+]CC(O)COc1ccccc1C#N	ZINC04214111	3.698
C[NH+](C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	ZINC00626528	3.577
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O	ZINC04081985	3.912
COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1	ZINC03935839	2.644
COc1ccccc1OC(=O)c1ccccc1	ZINC00000349	1.342
CC(C)CC[NH2+]CC1COc2ccccc2O1	ZINC04214115	3.701
CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1	ZINC19632834	3.196
CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O	ZINC02986592	2.759
Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC00141883	1.529
O=C([O-])CCCNC(=O)NC1CCCCC1	ZINC08754389	2.493
CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1	ZINC00000595	3.399
CCC(C)SSc1ncc[nH]1	ZINC13209429	3.983
CC[N+](C)(CC)CCOC(=O)C(O)(c1cccs1)C1CCCC1	ZINC01690860	3.471
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O	ZINC03814360	3.994
CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2O	ZINC03814379	4.056
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O	ZINC04095762	4.282
CC(C)CC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1	ZINC02016048	4.092
C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(OC(=O)CC[NH+](C)C)C1C(C)(C)CCC(O)C12C	ZINC38595287	5.519
C=CC[NH+]1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC	ZINC00601278	4.286
CC(=O)OC1C[NH+]2CCC1CC2	ZINC00492792	5.711
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O	ZINC03814418	3.994
CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C	ZINC03814422	4.022
CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C	ZINC03814423	4.827
C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C	ZINC03815424	3.810
C=CC1(C)CC(OC(=O)CSCC[NH+](CC)CC)C2(C)C3C(=O)CCC3(CCC2C)C(C)C1O	ZINC25757051	6.200
O=C([O-])C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	ZINC03623428	2.594
CC[NH+]1CCCC1CNC(=O)C(O)(c1ccccc1)c1ccccc1	ZINC00900569	3.950
CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)[O-]	ZINC00004594	2.573
Cc1nnc(C(C)C)n1C1CC2CCC(C1)[NH+]2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1	ZINC03817234	5.316
Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O	ZINC03871612	5.290
O=C([O-])CNC(=O)c1ccccc1	ZINC00097685	2.097
Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O	ZINC03871613	5.290
Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O	ZINC03871614	5.290
c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1	ZINC19865692	1.702
CC=CC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1	ZINC20444132	4.042
C[NH+]1CCCC1COc1cccnc1	ZINC03805141	4.510
O=C([O-])C(O)CC(O)C(O)CO	ZINC04803503	4.398
O=C([O-])C(O)CC(O)C(O)CO	ZINC01696607	4.398
C[NH+]1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12	ZINC03823475	3.921
C(=Cc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC19632891	2.973
Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O	ZINC03871615	5.290
CC(c1ccccc1)N(C)C=O	ZINC06932229	2.562
CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C	ZINC03824281	4.279
O=C([O-])C(O)CC(O)C(O)CO	ZINC04803506	4.398
COc1cc(O)c(C(=O)c2ccccc2)c(O)c1	ZINC00000187	1.868
O=C([O-])C(O)CC(O)C(O)CO	ZINC04803507	4.398
COc1c2c(cc3c1C(O)N(C)CC3)OCO2	ZINC00000186	3.183
CCC(C(=O)[O-])c1ccc(CC(C)C)cc1	ZINC00015537	2.827
O=C([O-])C1[NH+]=C(c2ccccc2)c2cc(Cl)ccc2NC1(O)O	ZINC38611850	4.011
O=C([O-])C1[NH+]=C(c2ccccc2)c2cc(Cl)ccc2NC1(O)O	ZINC38611851	4.011
OCC(O)COc1ccc(Cl)cc1	ZINC00000135	2.102
NC(=O)NC(=O)C(Cl)c1ccccc1	ZINC00000134	2.455
OC(c1ccccc1)(c1ccccc1)C1C[NH+]2CCC1CC2	ZINC01298963	4.530
C[NH2+]CC(C)c1ccccc1	ZINC04298801	3.471
Clc1cccc(Cl)c1N=C1NCCO1	ZINC13835972	3.267
[NH3+]C(Cc1ccccc1)C(=O)CCl	ZINC02504633	3.251
CC(C)Cn1cnc2c1c1ccccc1nc2N	ZINC19632912	2.230
CC(O)CN(C)c1ccc(NN)nn1	ZINC00000624	3.193
CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC21C	ZINC00001727	4.461
CCC(C(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC00000111	2.505
CC(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O	ZINC03830255	3.832
CC(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O	ZINC03830256	3.832
Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)[O-]	ZINC00001783	2.456
CC(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O	ZINC03830257	3.832
Cc1cccc(-c2nc3ccccc3c(Nc3ccc4[nH]ncc4c3)n2)n1	ZINC39279791	2.358
O=C([O-])C1CC2CCCCC2[NH2+]1	ZINC04899687	5.422
CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C	ZINC00538219	4.187
O=C([O-])C1CC2CCCCC2[NH2+]1	ZINC04899686	5.422
O=C(OCc1ccccc1)C(O)c1ccccc1	ZINC00000078	2.038
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C	ZINC00608041	4.394
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1	ZINC02570895	2.144
COCc1cccc(CC(O)C=CC2C(O)CC(=O)C2CCSCCCC(=O)OC)c1	ZINC03940680	3.934
CCC(=O)N(c1ccccc1)C1CC[NH+](C(C)Cc2ccccc2)CC1	ZINC01664586	3.582
CCC(=O)N(c1ccccc1)C1CC[NH+](C(C)Cc2ccccc2)CC1	ZINC01664587	3.582
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2	ZINC19340795	2.446
O=C([O-])Cc1cc(=O)[nH]c(=O)[nH]1	ZINC00403617	3.258
NC(=O)C([NH3+])Cc1c[nH]c2ccccc12	ZINC04899521	3.224
NC(=O)C([NH3+])Cc1ccc(O)cc1	ZINC04899513	3.280
O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1	ZINC19632922	1.799
O=C(CO)C(O)C(O)CO	ZINC00902219	3.473
CC(Cc1ccccc1)NC(=O)C([NH3+])CCCC[NH3+]	ZINC11680943	3.967
C[NH+]1CCC(c2c(O)cc(=O)c3c(O)cc(-c4ccccc4Cl)oc2-3)C(O)C1	ZINC05966679	4.616
CN(C)c1ccc(O)c2c1CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O	ZINC04019704	4.713
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C	ZINC03650334	3.791
C[NH+]1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2	ZINC18130447	4.892
Cc1ccccc1NC(=O)C(C)[NH+]1CCCC1	ZINC00000051	3.809
O=S(=O)([O-])CCN1CCOCC1	ZINC19419111	2.776
C[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1	ZINC19632927	3.379
CCCCCC=CCC=CCCCCCCCC(=O)[O-]	ZINC03802188	2.805
CC(CC([NH3+])C(=O)[O-])C(=O)[O-]	ZINC01747048	5.690
CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(O)=C(C(N)=O)C(=O)C([NH+](C)C)C3C(O)C21	ZINC04019706	5.069
Cc1cc2nc3nc([O-])[nH]c(=O)c3nc2cc1C	ZINC12446789	3.079
CC1=CC(C)C2(CO)COC(c3ccc(O)cc3)C1C2C	ZINC38190856	4.749
CC[NH+]1CCC(=C2c3ccccc3CCc3ccccc32)C1C	ZINC02020004	3.925