smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1	ZINC000265508633	1075524490	/nfs/dbraw/zinc/52/44/90/1075524490.db2.gz	REDACSJSCWBWSW-CYBMUJFWSA-N	1	2	393.400	-1.194	20	5		GABDLO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1	ZINC000265508634	1075524459	/nfs/dbraw/zinc/52/44/59/1075524459.db2.gz	REDACSJSCWBWSW-ZDUSSCGKSA-N	1	2	393.400	-1.194	20	5		GABDLO
O=C(C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1	ZINC000266398963	1075528665	/nfs/dbraw/zinc/52/86/65/1075528665.db2.gz	DQGOJELVQWMRDI-AWEZNQCLSA-N	1	2	380.405	-1.081	20	5		GABDLO
O=C(C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1	ZINC000266398966	1075528579	/nfs/dbraw/zinc/52/85/79/1075528579.db2.gz	DQGOJELVQWMRDI-CQSZACIVSA-N	1	2	380.405	-1.081	20	5		GABDLO
O=C(C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1	ZINC000266430586	1075530047	/nfs/dbraw/zinc/53/00/47/1075530047.db2.gz	KTCVTDVIQFNCSK-AWEZNQCLSA-N	1	2	396.404	-1.845	20	5		GABDLO
O=C(C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1	ZINC000266430587	1075530117	/nfs/dbraw/zinc/53/01/17/1075530117.db2.gz	KTCVTDVIQFNCSK-CQSZACIVSA-N	1	2	396.404	-1.845	20	5		GABDLO
O=C(CN1CC[NH2+]CC1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000430305795	1073449550	/nfs/dbraw/zinc/44/95/50/1073449550.db2.gz	QIICQMMUJWWZLK-UHFFFAOYSA-N	1	2	385.402	-1.579	20	5		GABDLO
O=C(CN1CC[NH2+]CC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000430404230	1073454242	/nfs/dbraw/zinc/45/42/42/1073454242.db2.gz	WLGSITJNPTVKTL-UHFFFAOYSA-N	1	2	385.402	-1.579	20	5		GABDLO
O=C(CN1CCOCC1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000438781351	1074121608	/nfs/dbraw/zinc/12/16/08/1074121608.db2.gz	KXEXHICYRSXMNK-HNNXBMFYSA-N	1	2	382.421	-1.371	20	5		GABDLO
O=C(CN1CCOCC1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000438781352	1074122471	/nfs/dbraw/zinc/12/24/71/1074122471.db2.gz	KXEXHICYRSXMNK-OAHLLOKOSA-N	1	2	382.421	-1.371	20	5		GABDLO
O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000441495612	1074182864	/nfs/dbraw/zinc/18/28/64/1074182864.db2.gz	YCUGSKDMSUNAMO-CYBMUJFWSA-N	1	2	394.388	-1.555	20	5		GABDLO
O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000441495613	1074182737	/nfs/dbraw/zinc/18/27/37/1074182737.db2.gz	YCUGSKDMSUNAMO-ZDUSSCGKSA-N	1	2	394.388	-1.555	20	5		GABDLO
NS(=O)(=O)CC[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1	ZINC000546759328	530103747	/nfs/dbraw/zinc/10/37/47/530103747.db2.gz	HHIKQNIWUVZAID-UHFFFAOYSA-N	1	2	393.447	-1.347	20	5		GABDLO
CS(=O)(=O)c1ccc(NCCNC(=O)CN2CC[NH2+]CC2=O)c([N+](=O)[O-])c1	ZINC000571518772	1075748926	/nfs/dbraw/zinc/74/89/26/1075748926.db2.gz	JUPWQBYIOYZEOO-UHFFFAOYSA-N	1	2	399.429	-1.042	20	5		GABDLO
O=C(CN1CC[NH2+]CC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000580187283	1073528420	/nfs/dbraw/zinc/52/84/20/1073528420.db2.gz	LMTQTEMZGAOUHQ-UHFFFAOYSA-N	1	2	385.402	-1.579	20	5		GABDLO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)n1	ZINC000600669276	530174648	/nfs/dbraw/zinc/17/46/48/530174648.db2.gz	XXYBBMHHWPXJQW-UHFFFAOYSA-N	1	2	376.395	-1.945	20	5		GABDLO
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1	ZINC001340911990	1075088525	/nfs/dbraw/zinc/08/85/25/1075088525.db2.gz	OLJONTKNWKKVHP-CYBMUJFWSA-N	1	2	393.400	-1.194	20	5		GABDLO
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1	ZINC001340911992	1075088499	/nfs/dbraw/zinc/08/84/99/1075088499.db2.gz	OLJONTKNWKKVHP-ZDUSSCGKSA-N	1	2	393.400	-1.194	20	5		GABDLO
COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC001345378132	1075127032	/nfs/dbraw/zinc/12/70/32/1075127032.db2.gz	XOZFOCCUYDWCDQ-UHFFFAOYSA-N	1	2	398.420	-1.287	20	5		GABDLO