smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)[N-]N=Cc2n[nH]c3cc(C(=O)[O-])ccc23)c(=O)n(C)c1=O	ZINC000765583055	1071573898	/nfs/dbraw/zinc/57/38/98/1071573898.db2.gz	FIZICMPWLMYKOG-UHFFFAOYSA-N	-2	0	406.380	-1.029	20	30		HAEDRL
C#CC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12	ZINC001143912724	1071738539	/nfs/dbraw/zinc/73/85/39/1071738539.db2.gz	DGKJNJAQIXYWGO-AMIZOPFISA-N	-2	0	423.432	-2.068	20	30		HAEDRL
N#C[C@@H](NC(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O)C(N)=O	ZINC001152236481	1072142796	/nfs/dbraw/zinc/14/27/96/1072142796.db2.gz	SZHICZCPWCHJQE-MRVPVSSYSA-N	-2	0	411.286	-1.041	20	30		HAEDRL
N#C[C@H](NC(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O)C(N)=O	ZINC001152236482	1072142864	/nfs/dbraw/zinc/14/28/64/1072142864.db2.gz	SZHICZCPWCHJQE-QMMMGPOBSA-N	-2	0	411.286	-1.041	20	30		HAEDRL
O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001184247484	1071827551	/nfs/dbraw/zinc/82/75/51/1071827551.db2.gz	QZTSEMSONJLTDC-DIAXPKBXSA-N	-2	0	406.389	-2.221	20	30		HAEDRL
O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001184247485	1071827657	/nfs/dbraw/zinc/82/76/57/1071827657.db2.gz	QZTSEMSONJLTDC-GZENYHORSA-N	-2	0	406.389	-2.221	20	30		HAEDRL
C=CCC1(S(=O)(=O)[N-][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1	ZINC001190843501	1071868434	/nfs/dbraw/zinc/86/84/34/1071868434.db2.gz	FNIQBQQHGBEPOC-ILAIQSSSSA-N	-2	0	403.431	-2.359	20	30		HAEDRL
C=CCC1(S(=O)(=O)[N-][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1	ZINC001190843502	1071868130	/nfs/dbraw/zinc/86/81/30/1071868130.db2.gz	FNIQBQQHGBEPOC-ISUQUUIWSA-N	-2	0	403.431	-2.359	20	30		HAEDRL
C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c([O-])nc(=O)c1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473629	1072286693	/nfs/dbraw/zinc/28/66/93/1072286693.db2.gz	OCBUWGKFQAMANP-ZCFIWIBFSA-O	-2	0	411.351	-2.311	20	30		HAEDRL
C#CC(C#C)O[C@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O	ZINC001227668096	1072287261	/nfs/dbraw/zinc/28/72/61/1072287261.db2.gz	OJURBWPJGCYPQX-ADGXKJENSA-N	-2	0	410.279	-1.080	20	30		HAEDRL
C#CC(C#C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O	ZINC001227668097	1072287256	/nfs/dbraw/zinc/28/72/56/1072287256.db2.gz	OJURBWPJGCYPQX-SDBHATRESA-N	-2	0	410.279	-1.080	20	30		HAEDRL