smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3cnc4cc5c(cc4c3n(CC[NH2+]C(CO)(CO)CO)c(=O)c2cc1OC)OCO5	ZINC000029044694	563092255	/nfs/dbraw/zinc/09/22/55/563092255.db2.gz	ZHQXCIQTXSVKQD-UHFFFAOYSA-N	1	0	497.504	0.754	1	5		JCBFRO
COc1cc2c(cc1OC)c1nnc3cc4c(cc3c1n(CC[NH2+]C(CO)(CO)CO)c2=O)OCO4	ZINC000029044697	563092285	/nfs/dbraw/zinc/09/22/85/563092285.db2.gz	FGBHWIZJEJBUHZ-UHFFFAOYSA-N	1	0	498.492	0.149	1	5		JCBFRO
Cn1cc(NC(=O)c2cc(NC(=O)Cn3ccnc3[N+](=O)[O-])cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000029415880	563103671	/nfs/dbraw/zinc/10/36/71/563103671.db2.gz	RJUGMUXPGLFUEH-UHFFFAOYSA-N	1	0	484.477	0.415	1	5		JCBFRO
CCOC(=O)c1c(C(=O)NCC[N@H+](CCO)C[C@@H](O)Cn2ccnc2[N+](=O)[O-])cn2ccccc12	ZINC000029561085	563106962	/nfs/dbraw/zinc/10/69/62/563106962.db2.gz	OXDLWWUJQICHDL-MRXNPFEDSA-N	1	0	488.501	0.306	1	5		JCBFRO
CCOC(=O)c1c(C(=O)NCC[N@H+](CCO)C[C@H](O)Cn2ccnc2[N+](=O)[O-])cn2ccccc12	ZINC000029561089	563107055	/nfs/dbraw/zinc/10/70/55/563107055.db2.gz	OXDLWWUJQICHDL-INIZCTEOSA-N	1	0	488.501	0.306	1	5		JCBFRO
C[N+](C)(CCNC(=O)c1nc(Cl)c(N)nc1N)CCNS(=O)(=O)c1ccc(Cl)cc1	ZINC000073198225	717134451	/nfs/dbraw/zinc/13/44/51/717134451.db2.gz	RZMRNTYPPPYLIX-UHFFFAOYSA-O	1	0	477.398	0.733	1	5		JCBFRO
C/C=C1\C(=O)O[C@H]2CC[N+]3(C)CC=C(COC(=O)[C@](C)(OC(C)=O)[C@H](C)[C@H]1OC(C)=O)[C@@]23O	ZINC000238783572	717163586	/nfs/dbraw/zinc/16/35/86/717163586.db2.gz	UJFFAMMZKASLBJ-ZRUIKUDWSA-N	1	0	466.507	0.770	1	5		JCBFRO