smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1COc1ccc([N+](=O)[O-])cc1	ZINC000028366710	207341453	/nfs/dbraw/zinc/34/14/53/207341453.db2.gz	UHIXLGFDOXYHRR-BFHYXJOUSA-N	0	0	379.325	-0.336	1	5		GBBFRN
Cc1nnn(C[C@@H](C)n2nnc3cc4c(cc3c2=O)nnn(C2CC2)c4=O)n1	ZINC000059185458	205178186	/nfs/dbraw/zinc/17/81/86/205178186.db2.gz	HDUNWMRFZBAKDU-MRVPVSSYSA-N	0	0	380.372	-0.213	1	5		GBBFRN
Cc1nnnn1C[C@@H](C)n1nnc2cc3c(cc2c1=O)nnn(C1CC1)c3=O	ZINC000059185526	210924561	/nfs/dbraw/zinc/92/45/61/210924561.db2.gz	WSMZZIUYLOYRCJ-MRVPVSSYSA-N	0	0	380.372	-0.213	1	5		GBBFRN
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	ZINC000078277648	222296454	/nfs/dbraw/zinc/29/64/54/222296454.db2.gz	QRTREGCJFWKNRZ-BFHYXJOUSA-N	0	0	390.352	-0.168	1	5		GBBFRN
C[C@@H](O)Cn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(C[C@H](C)O)c3=O	ZINC000084687366	205398697	/nfs/dbraw/zinc/39/86/97/205398697.db2.gz	LSGPBROUJHKVKL-AOOOYVTPSA-N	0	0	382.372	-0.173	1	5		GBBFRN
C[C@@H](O)Cn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(C[C@@H](C)O)c3=O	ZINC000084687367	211174020	/nfs/dbraw/zinc/17/40/20/211174020.db2.gz	LSGPBROUJHKVKL-NXEZZACHSA-N	0	0	382.372	-0.173	1	5		GBBFRN
C[C@H](O)Cn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(C[C@H](C)O)c3=O	ZINC000084687368	222319853	/nfs/dbraw/zinc/31/98/53/222319853.db2.gz	LSGPBROUJHKVKL-UWVGGRQHSA-N	0	0	382.372	-0.173	1	5		GBBFRN
C[N+](C)([O-])CCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12	ZINC000238736682	717162335	/nfs/dbraw/zinc/16/23/35/717162335.db2.gz	HGXRKFJKSUPAHA-UYTYNIKBSA-N	0	0	382.413	-0.537	1	5		GBBFRN
C[N+]1([O-])CCc2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3[nH]c2C1	ZINC000238765596	717163278	/nfs/dbraw/zinc/16/32/78/717163278.db2.gz	LULNXUBLFVVTEP-WMJZPAMESA-N	0	0	380.397	-0.653	1	5		GBBFRN
C[C@@H]1[C@@H](C)[C@](O)(CO)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23	ZINC000238783459	717163645	/nfs/dbraw/zinc/16/36/45/717163645.db2.gz	FEMZDTCUQKSHTJ-BXBPNKMRSA-N	0	0	385.413	-0.772	1	5		GBBFRN