smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c2c(sc1NC(=O)CSc1nnc(NN=Cc3ccccc3O)[n-]1)CCCC2	ZINC000020494514	526531783	/nfs/dbraw/zinc/53/17/83/526531783.db2.gz	LJAQCVLVNPPYHQ-LSHDLFTRSA-N	-1	3	453.553	3.499	10	30		JGEEHM
CCN(CC)S(=O)(=O)c1ccc([N-]N=C2c3ccccc3N(CC(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000009136764	520797857	/nfs/dbraw/zinc/79/78/57/520797857.db2.gz	RNAWNWBGQCQZJL-DARPEHSRSA-N	-1	3	473.555	3.444	10	30		JGEEHM
COc1cc(OC)c(OC)c(OC)c1/C=C/C(=O)c1c([O-])c(OC)c(OC)c(OC)c1OC	ZINC000004886973	560200183	/nfs/dbraw/zinc/20/01/83/560200183.db2.gz	HPTDGVAHRUTYLD-MDZDMXLPSA-N	-1	3	464.467	3.357	10	30	in-vitro	JGEEHM
C=CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1)C(C)C	ZINC000036207707	128298812	/nfs/dbraw/zinc/29/88/12/128298812.db2.gz	PPIVJEQOZAFEPU-KRWDZBQOSA-N	-1	3	473.595	3.443	10	30		JGEEHM
COc1ccc(C=[NH+][N-]c2nnc(SCC(=O)OC3CCCC3)[n-]2)cc1OCn1cccn1	ZINC000020259346	555744739	/nfs/dbraw/zinc/74/47/39/555744739.db2.gz	XUBFSESIGXXZMS-WSDLNYQXSA-N	-1	3	471.543	3.070	10	30		JGEEHM
COc1ccc(C=NNc2nnc(SCC(=O)OC3CCCC3)[n-]2)cc1OCn1cccn1	ZINC000020259346	555744740	/nfs/dbraw/zinc/74/47/40/555744740.db2.gz	XUBFSESIGXXZMS-WSDLNYQXSA-N	-1	3	471.543	3.070	10	30		JGEEHM
C=CCOC[C@H](O)CN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1)C(C)C	ZINC000036207708	518996897	/nfs/dbraw/zinc/99/68/97/518996897.db2.gz	PPIVJEQOZAFEPU-QGZVFWFLSA-N	-1	3	473.595	3.443	10	30		JGEEHM
COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3F)[n-]2)cc1OCn1cccn1	ZINC000020259344	555744769	/nfs/dbraw/zinc/74/47/69/555744769.db2.gz	CQRURSPGKWLLHS-WYMPLXKRSA-N	-1	3	496.528	3.362	10	30		JGEEHM
COc1ccc(C=[NH+][N-]c2nnc(SCC(=O)Nc3ccccc3F)[n-]2)cc1OCn1cccn1	ZINC000020259344	555744770	/nfs/dbraw/zinc/74/47/70/555744770.db2.gz	CQRURSPGKWLLHS-WYMPLXKRSA-N	-1	3	496.528	3.362	10	30		JGEEHM
COc1cccc(C(=O)CSc2nnc(NN=Cc3ccc(OC)c(OCn4cccn4)c3)[n-]2)c1	ZINC000020274069	555749268	/nfs/dbraw/zinc/74/92/68/555749268.db2.gz	FZJJBXNLUAQXQW-ZMOGYAJESA-N	-1	3	493.549	3.476	10	30		JGEEHM
COc1cccc(C(=O)CSc2nnc([N-][NH+]=Cc3ccc(OC)c(OCn4cccn4)c3)[n-]2)c1	ZINC000020274069	555749270	/nfs/dbraw/zinc/74/92/70/555749270.db2.gz	FZJJBXNLUAQXQW-ZMOGYAJESA-N	-1	3	493.549	3.476	10	30		JGEEHM
COc1ccc(C(C)=[NH+][N-]c2nnc(SCC(=O)NCc3ccccc3OC)[n-]2)c(OC)c1	ZINC000020157454	555676196	/nfs/dbraw/zinc/67/61/96/555676196.db2.gz	PAAQOGHNEZFPPV-QFEZKATASA-N	-1	3	470.555	3.075	10	30		JGEEHM
COc1ccc(C=[NH+][N-]c2nnc(SCCC(=O)Nc3ccccn3)[n-]2)cc1OCn1cccn1	ZINC000020259348	555744722	/nfs/dbraw/zinc/74/47/22/555744722.db2.gz	UWHXCSHNARECTL-ZVHZXABRSA-N	-1	3	493.553	3.008	10	30		JGEEHM
COc1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccn3)[n-]2)cc1OCn1cccn1	ZINC000020259348	555744725	/nfs/dbraw/zinc/74/47/25/555744725.db2.gz	UWHXCSHNARECTL-ZVHZXABRSA-N	-1	3	493.553	3.008	10	30		JGEEHM