smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cc(OC)c([N+](=O)[O-])cc3C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000026389481	561785308	/nfs/dbraw/zinc/78/53/08/561785308.db2.gz	SKGROIAPSACLHQ-YSOZRZHFSA-N	0	0	564.547	4.451	10	5		KIBERN
O=C(NCc1nnc(SCc2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000035704066	554064533	/nfs/dbraw/zinc/06/45/33/554064533.db2.gz	HMXQUVPUVYRHON-UHFFFAOYSA-N	0	0	508.491	4.445	10	5		KIBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(F)cc2)C(C)C)n1C	ZINC000038535106	554274900	/nfs/dbraw/zinc/27/49/00/554274900.db2.gz	RPDHJUVTCDVTDA-FQEVSTJZSA-N	0	0	500.556	4.029	10	5		KIBERN
C[N+](C)(C)CCO[P@@](=O)([O-])O[C@@H](CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000059606049	717131419	/nfs/dbraw/zinc/13/14/19/717131419.db2.gz	ABYBKFOWGWPBRM-SANMLTNESA-O	0	0	500.552	4.196	10	5		KIBERN
COc1cccc(-n2c(CN3CCN(c4cccc(Cl)c4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000063453766	554508988	/nfs/dbraw/zinc/50/89/88/554508988.db2.gz	WMJZRJFGEZOJPH-UHFFFAOYSA-N	0	0	505.962	4.278	10	5		KIBERN
CCOC(=O)c1ccc(C(=O)NCCN2C(=O)C=CC2=O)cc1-c1c2ccc(N(C)C)cc2[o+]c2cc(N(C)C)ccc21	ZINC000072132675	553643909	/nfs/dbraw/zinc/64/39/09/553643909.db2.gz	XQFCRGVSIRCBSM-UHFFFAOYSA-O	0	0	581.649	4.498	10	5	in-vitro	KIBERN
COc1ccc(CCNC(=O)c2ccc(-n3nc(C)cc3NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC	ZINC000098048410	554161776	/nfs/dbraw/zinc/16/17/76/554161776.db2.gz	FWYZJZIOGKLJRC-UHFFFAOYSA-N	0	0	529.553	4.331	10	5		KIBERN
C[N+](C)(C)CCO[P@@](=O)([O-])OC[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000196458539	717158334	/nfs/dbraw/zinc/15/83/34/717158334.db2.gz	VEYOUVRPQAMQNX-AREMUKBSSA-O	0	0	500.552	4.196	10	5		KIBERN
COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@@+]3([O-])CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21	ZINC000255273797	717171702	/nfs/dbraw/zinc/17/17/02/717171702.db2.gz	VRKGMHQUKPFVFT-UDVHMAGWSA-N	0	0	624.687	4.184	10	5		KIBERN
Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	ZINC000575232300	717183902	/nfs/dbraw/zinc/18/39/02/717183902.db2.gz	LHQICTXYWDRTQV-UHFFFAOYSA-O	0	0	510.622	4.494	10	5		KIBERN
Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1	ZINC000575232548	717183954	/nfs/dbraw/zinc/18/39/54/717183954.db2.gz	ZIZSJJVURRHGRK-UHFFFAOYSA-O	0	0	527.629	4.398	10	5		KIBERN
C[N+](C)(C)CCO[P@](=O)([O-])OCCCNC(=O)CCCCCCCCCCC[NH+]=c1ccc([N+](=O)[O-])c2[nH]onc1-2	ZINC000725239187	717188298	/nfs/dbraw/zinc/18/82/98/717188298.db2.gz	ZXVAGVHPYJJDCM-UHFFFAOYSA-O	0	0	601.662	4.164	10	5		KIBERN