smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2ccc([C@@H](c3ccncc3)[NH+]3CCCCC3)c([O-])c2n1	ZINC000045944428	202560037	/nfs/dbraw/zinc/56/00/37/202560037.db2.gz	OKRVUVKJJQTKCS-HXUWFJFHSA-N	0	1	333.435	4.219	10	10		EICEMN
CC1CCC(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1	ZINC000232815235	564177556	/nfs/dbraw/zinc/17/75/56/564177556.db2.gz	PPPBZBJYTMAGNG-UHFFFAOYSA-N	0	1	326.278	4.461	10	10		EICEMN
Cc1ccccc1N1C(=O)C(=CC=Cc2ccccc2)C(=O)NC1=S	ZINC000033319138	202257687	/nfs/dbraw/zinc/25/76/87/202257687.db2.gz	IPEJRDSHUDHUEF-LRPPNIKISA-N	0	1	348.427	4.223	10	10		EICEMN
[NH3+][C@H](c1cccc(Br)c1)c1ccc2ccccc2c1[O-]	ZINC000032098983	202221188	/nfs/dbraw/zinc/22/11/88/202221188.db2.gz	MHCIMYWNWFLLOD-MRXNPFEDSA-N	0	1	328.209	4.356	10	10		EICEMN
[NH3+][C@H](c1ccc(Br)cc1)c1ccc2ccccc2c1[O-]	ZINC000032098985	202221862	/nfs/dbraw/zinc/22/18/62/202221862.db2.gz	IRBLEEOXFMMVEF-MRXNPFEDSA-N	0	1	328.209	4.356	10	10		EICEMN
CC[C@@H]([NH2+]CCc1ccccc1)c1cc(Br)ccc1[O-]	ZINC000019919907	212083854	/nfs/dbraw/zinc/08/38/54/212083854.db2.gz	BWKCGMKVIFLZHU-MRXNPFEDSA-N	0	1	334.257	4.438	10	10		EICEMN
CC[C@H]([NH2+]CCc1cccs1)c1cc(Br)ccc1[O-]	ZINC000019949096	212089875	/nfs/dbraw/zinc/08/98/75/212089875.db2.gz	SSMAKMXKHUHAPQ-AWEZNQCLSA-N	0	1	340.286	4.500	10	10		EICEMN
COc1ccccc1NC=C1C(C)=NN(c2ccc(C)cc2C)C1=O	ZINC000101350349	219123091	/nfs/dbraw/zinc/12/30/91/219123091.db2.gz	KPLOQJZRMKBOPZ-VBKFSLOCSA-N	0	1	335.407	4.031	10	10		EICEMN
COc1ccccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2C)c1=O	ZINC000101350349	219123094	/nfs/dbraw/zinc/12/30/94/219123094.db2.gz	KPLOQJZRMKBOPZ-VBKFSLOCSA-N	0	1	335.407	4.031	10	10		EICEMN
CC[C@H]([NH2+]CCc1ccccc1)c1cc(Br)ccc1[O-]	ZINC000019919909	212083838	/nfs/dbraw/zinc/08/38/38/212083838.db2.gz	BWKCGMKVIFLZHU-INIZCTEOSA-N	0	1	334.257	4.438	10	10		EICEMN
CC[C@@H]([NH2+]CCc1cccs1)c1cc(Br)ccc1[O-]	ZINC000019949091	212089145	/nfs/dbraw/zinc/08/91/45/212089145.db2.gz	SSMAKMXKHUHAPQ-CQSZACIVSA-N	0	1	340.286	4.500	10	10		EICEMN
CN1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2cccc(Cl)c2)C1	ZINC000004475347	210196768	/nfs/dbraw/zinc/19/67/68/210196768.db2.gz	ZFGLFJUKZQSCQO-CQSZACIVSA-N	0	1	338.234	4.024	10	10	aggregator	EICEMN