smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH2+][C@@]13C[C@@H]4C[C@@H](C[C@@](C)(C4)C1)C3)c1ccccc1S2	ZINC000217421870	571601334	/nfs/dbraw/zinc/60/13/34/571601334.db2.gz	VDZHJFQXCMBCJI-PMDCHVPISA-N	1	0	505.684	6.723	40	70		KKIBRO
Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c(C)c1	ZINC000217439183	571601533	/nfs/dbraw/zinc/60/15/33/571601533.db2.gz	ZLOHVMWPVZSCIQ-DEIHTGSNSA-N	1	0	543.711	6.234	40	70		KKIBRO
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1	ZINC000217459253	571601549	/nfs/dbraw/zinc/60/15/49/571601549.db2.gz	JGPPKNUAZRWESR-WNLMHJPVSA-N	1	0	561.694	6.497	40	70		KKIBRO
O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc[n+](Cc2ccc(S(=O)(=O)F)c(Cl)c2)c1	ZINC000073296976	562737753	/nfs/dbraw/zinc/73/77/53/562737753.db2.gz	FJSXMNCBUBQSDC-UHFFFAOYSA-O	1	0	504.774	5.308	40	70		KKIBRO
O=C(COc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccc[n+](Cc2ccc(Cl)cc2S(=O)(=O)F)c1	ZINC000073351231	562738238	/nfs/dbraw/zinc/73/82/38/562738238.db2.gz	VPELOQLJNJSRNA-UHFFFAOYSA-N	1	0	608.926	6.249	40	70		KKIBRO
Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c(C)c1	ZINC000217439102	571601560	/nfs/dbraw/zinc/60/15/60/571601560.db2.gz	ZLOHVMWPVZSCIQ-NPBSGPTKSA-N	1	0	543.711	6.234	40	70		KKIBRO