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)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801091	1199880007	/nfs/dbraw/zinc/88/00/07/1199880007.db2.gz	DXQOVPBJFJXDFY-LSDHHAIUSA-N	1	0	389.412	0.548	40	5		GCBBRO
CCCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@H](CC1)[C@H]32	ZINC000005208222	209579199	/nfs/dbraw/zinc/57/91/99/209579199.db2.gz	YMDLOZXFFUNXCV-IYIXZCRFSA-N	1	0	382.477	0.922	40	5		GCBBRO
CCN1CCN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	ZINC000022874142	570557582	/nfs/dbraw/zinc/55/75/82/570557582.db2.gz	VODQZEVEWDBCCT-UHFFFAOYSA-N	1	0	384.458	0.833	40	5		GCBBRO
C[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220424648	571048897	/nfs/dbraw/zinc/04/88/97/571048897.db2.gz	JOSXQMUHFXTCCE-LBPRGKRZSA-N	1	0	384.458	0.960	40	5		GCBBRO
C[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220424706	571049269	/nfs/dbraw/zinc/04/92/69/571049269.db2.gz	JOSXQMUHFXTCCE-GFCCVEGCSA-N	1	0	384.458	0.960	40	5		GCBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801087	1199879617	/nfs/dbraw/zinc/87/96/17/1199879617.db2.gz	DXQOVPBJFJXDFY-HUUCEWRRSA-N	1	0	389.412	0.548	40	5		GCBBRO
COCc1n[nH]c(-n2ccc3nc4ccn(CC[NH+](C)C)c(=O)c4cc3c2=O)n1	ZINC000040398984	205064278	/nfs/dbraw/zinc/06/42/78/205064278.db2.gz	XCPDPTRXFCRZRF-UHFFFAOYSA-N	1	0	395.423	0.527	40	5		GCBBRO
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899539	204088619	/nfs/dbraw/zinc/08/86/19/204088619.db2.gz	JJSQTVFRQZPPIV-MJVIPROJSA-N	1	0	377.401	0.376	40	5		GCBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O	ZINC000013668436	210075583	/nfs/dbraw/zinc/07/55/83/210075583.db2.gz	HNGNYYDDMGLFMD-UHFFFAOYSA-N	1	0	388.446	0.437	40	5		GCBBRO
CCCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@@H](CC1)[C@H]32	ZINC000005208223	204119555	/nfs/dbraw/zinc/11/95/55/204119555.db2.gz	YMDLOZXFFUNXCV-OWDTYXNTSA-N	1	0	382.477	0.922	40	5		GCBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801099	1199879543	/nfs/dbraw/zinc/87/95/43/1199879543.db2.gz	DXQOVPBJFJXDFY-GJZGRUSLSA-N	1	0	389.412	0.548	40	5		GCBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801095	1199879803	/nfs/dbraw/zinc/87/98/03/1199879803.db2.gz	DXQOVPBJFJXDFY-CABCVRRESA-N	1	0	389.412	0.548	40	5		GCBBRO
Cc1c(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220038154	570742754	/nfs/dbraw/zinc/74/27/54/570742754.db2.gz	BTHRFZOXRRURCP-UHFFFAOYSA-N	1	0	384.458	0.880	40	5		GCBBRO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000010450105	1199460463	/nfs/dbraw/zinc/46/04/63/1199460463.db2.gz	SUHOKHRJUBEEPS-UHFFFAOYSA-N	1	0	384.458	0.963	40	5		GCBBRO