smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)C3=C(C4C(=O)c5ccccc5C4=O)N[C@H](c4ccccn4)C3=C2[O-])c1	ZINC000100393489	557259600	/nfs/dbraw/zinc/25/96/00/557259600.db2.gz	CASMQBRWXVWRAC-KCZVDYSFSA-N	-1	3	449.466	3.173	10	30		IGEEHM
Cc1cccc(N2C(=O)C3=C(C4C(=O)c5ccccc5C4=O)N[C@H](c4ccccn4)C3=C2[O-])c1	ZINC000100393487	557259647	/nfs/dbraw/zinc/25/96/47/557259647.db2.gz	CASMQBRWXVWRAC-TUNNFDKTSA-N	-1	3	449.466	3.173	10	30		IGEEHM
CCN(CC)c1ccc(/C=N/c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c([O-])c1	ZINC000009615915	520881657	/nfs/dbraw/zinc/88/16/57/520881657.db2.gz	WMXXFHJPSYGPEI-XQNSMLJCSA-N	-1	3	447.557	3.019	10	30		IGEEHM
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000057531421	518971814	/nfs/dbraw/zinc/97/18/14/518971814.db2.gz	DNZUWCUYWUNJDX-HXUWFJFHSA-N	-1	3	445.475	3.203	10	30		IGEEHM
COc1cc(C=[NH+][N-]c2nnc(SCC(=O)Nc3c(C)cccc3C)[n-]2)ccc1O	ZINC000020418152	557014771	/nfs/dbraw/zinc/01/47/71/557014771.db2.gz	OQBBTOYICJYKNY-UFFVCSGVSA-N	-1	3	426.502	3.313	10	30		IGEEHM
COc1cc(C=NNc2nnc(SCC(=O)Nc3c(C)cccc3C)[n-]2)ccc1O	ZINC000020418152	557014772	/nfs/dbraw/zinc/01/47/72/557014772.db2.gz	OQBBTOYICJYKNY-UFFVCSGVSA-N	-1	3	426.502	3.313	10	30		IGEEHM
COC(=O)/C(=N/[N-]c1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(OC)cc2)n1C	ZINC000038194911	522739740	/nfs/dbraw/zinc/73/97/40/522739740.db2.gz	VCWHAXRRYTVDPE-XLNRJJMWSA-N	-1	3	442.457	3.090	10	30		IGEEHM
COc1cccc(C(C)=NNc2nnc(SCC(=O)c3ccc4c(c3)OCO4)[n-]2)c1	ZINC000035669223	525757806	/nfs/dbraw/zinc/75/78/06/525757806.db2.gz	SOMGSGOZQKRXPR-UUYOSTAYSA-N	-1	3	425.470	3.353	10	30		IGEEHM
COc1cccc(C(C)=[NH+][N-]c2nnc(SCC(=O)c3ccc4c(c3)OCO4)[n-]2)c1	ZINC000035669223	525757818	/nfs/dbraw/zinc/75/78/18/525757818.db2.gz	SOMGSGOZQKRXPR-UUYOSTAYSA-N	-1	3	425.470	3.353	10	30		IGEEHM
Cc1cc(C)n(C(=O)CSc2nnc([N-][NH+]=Cc3cccc(Br)c3)[n-]2)n1	ZINC000020352966	557009483	/nfs/dbraw/zinc/00/94/83/557009483.db2.gz	XJNFOTXOJLDIMS-QGMBQPNBSA-N	-1	3	434.323	3.259	10	30		IGEEHM
Cc1cccc(N2C(=O)C3=C(C4C(=O)c5ccccc5C4=O)N[C@@H](c4ccccn4)C3=C2[O-])c1	ZINC000100393483	557259625	/nfs/dbraw/zinc/25/96/25/557259625.db2.gz	CASMQBRWXVWRAC-VWPQPMDRSA-N	-1	3	449.466	3.173	10	30		IGEEHM
O=C(CSc1nnc([N-][NH+]=Cc2cccc(Br)c2)[n-]1)Nc1nccs1	ZINC000020436762	557016555	/nfs/dbraw/zinc/01/65/55/557016555.db2.gz	HVKUQAMUDNQAGV-REZTVBANSA-N	-1	3	438.336	3.201	10	30		IGEEHM
Cc1cccc(N2C(=O)C3=C(C4C(=O)c5ccccc5C4=O)N[C@@H](c4ccccn4)C3=C2[O-])c1	ZINC000100393485	557259655	/nfs/dbraw/zinc/25/96/55/557259655.db2.gz	CASMQBRWXVWRAC-SJBKTWHCSA-N	-1	3	449.466	3.173	10	30		IGEEHM
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000057531420	518972369	/nfs/dbraw/zinc/97/23/69/518972369.db2.gz	DNZUWCUYWUNJDX-FQEVSTJZSA-N	-1	3	445.475	3.203	10	30		IGEEHM