smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	ZINC000013652294	562999256	/nfs/dbraw/zinc/99/92/56/562999256.db2.gz	ATXBBSDCCRGIDB-UHFFFAOYSA-N	0	3	440.504	2.267	1	5		IEBFHN
CC[NH+](CC)CCn1c2cc(N3CCN(C)CC3)c(N)cc2c([O-])c2c(=O)cc(O)cc1-2	ZINC000026182396	563029625	/nfs/dbraw/zinc/02/96/25/563029625.db2.gz	YNPFMEHHSZIQQG-UHFFFAOYSA-N	0	3	439.560	2.242	1	5		IEBFHN
CC[NH+](CC)CCn1c2cc(N3CCN(C)CC3)c(N)cc2c(=O)c2c(O)cc([O-])cc21	ZINC000026182396	563029627	/nfs/dbraw/zinc/02/96/27/563029627.db2.gz	YNPFMEHHSZIQQG-UHFFFAOYSA-N	0	3	439.560	2.242	1	5		IEBFHN
COc1ccc2[nH]c3c(C(=O)NCCN(C)C)ccc(NCCN(C)C)c3c(=O)c2c1	ZINC000013652295	562999245	/nfs/dbraw/zinc/99/92/45/562999245.db2.gz	CKMROKZCLFVFRW-UHFFFAOYSA-N	0	3	425.533	2.367	1	5		IEBFHN
CN(C)CCn1c2ccc([N+](=O)[O-])c3nc4ccc(O)cc4c(c32)n(CCN(C)C)c1=O	ZINC000005847469	562945186	/nfs/dbraw/zinc/94/51/86/562945186.db2.gz	MZSNQZLDEPAPTH-UHFFFAOYSA-N	0	3	438.488	2.241	1	5		IEBFHN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(N3CCOCC3)c1)C2	ZINC000072179293	563166469	/nfs/dbraw/zinc/16/64/69/563166469.db2.gz	HYRMRTDMEPMIOU-ZDUSSCGKSA-N	0	3	443.382	2.077	1	5		IEBFHN
[NH3+]CCNC(=O)c1c2ncnc3c4ccccc4c([O-])c(c32)c2c1N[C@@H]1CCCC[C@H]1N=2	ZINC000027871014	563047634	/nfs/dbraw/zinc/04/76/34/563047634.db2.gz	WDYQSAPKHJAPBL-HUUCEWRRSA-N	0	3	428.496	2.406	1	5		IEBFHN
[NH3+]CCNC(=O)c1c2ncnc3c4ccccc4c([O-])c(c32)c2c1N[C@@H]1CCCC[C@@H]1N=2	ZINC000027872534	563047668	/nfs/dbraw/zinc/04/76/68/563047668.db2.gz	WDYQSAPKHJAPBL-LSDHHAIUSA-N	0	3	428.496	2.406	1	5		IEBFHN
CC[NH+](CC)CCn1c2cc(N3CCC(O)CC3)c(N)cc2c([O-])c2c(=O)cc(O)cc1-2	ZINC000026247802	563029986	/nfs/dbraw/zinc/02/99/86/563029986.db2.gz	QWNSUBZLCSUFHB-UHFFFAOYSA-N	0	3	440.544	2.451	1	5		IEBFHN
CC[NH+](CC)CCn1c2cc(N3CCC(O)CC3)c(N)cc2c(=O)c2c(O)cc([O-])cc21	ZINC000026247802	563029987	/nfs/dbraw/zinc/02/99/87/563029987.db2.gz	QWNSUBZLCSUFHB-UHFFFAOYSA-N	0	3	440.544	2.451	1	5		IEBFHN