smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(/C=C/C=[NH+]/c2ccc(NC3CCCCC3)cc2)cc1	ZINC000003077106	563471254	/nfs/dbraw/zinc/47/12/54/563471254.db2.gz	KIGQMUKVOFGZOE-NKVBAXCQSA-N	1	2	349.434	5.755	10	30		EKEELO
Cc1ccc2cc3c(nc2c1)-c1ccccc1/C3=[NH+]\C1CCCCC1	ZINC000012462688	211388527	/nfs/dbraw/zinc/38/85/27/211388527.db2.gz	ZIIRBUUNZBYCQV-ZNTNEXAZSA-N	1	2	326.443	5.694	10	30		EKEELO
O=C(/C(=C/c1ccccc1)n1cc[nH+]c1)c1ccc(Cl)cc1Cl	ZINC000039139735	213231205	/nfs/dbraw/zinc/23/12/05/213231205.db2.gz	BFIVVDFEHOSPHM-YVLHZVERSA-N	1	2	343.213	5.071	10	30		EKEELO
COc1ccc(C[NH+]=C2Nc3ccccc3NC23CCCCCC3)cc1	ZINC000046153015	563362300	/nfs/dbraw/zinc/36/23/00/563362300.db2.gz	JIMIKYNMYIZDQN-UHFFFAOYSA-N	1	2	349.478	5.224	10	30		EKEELO
N#Cc1ccc([C@@]2(CC3CCCC3)c3ccccc3-c3[nH+]ccn32)cc1	ZINC000072109200	216010012	/nfs/dbraw/zinc/01/00/12/216010012.db2.gz	CWKRGQQRVIMALU-QHCPKHFHSA-N	1	2	339.442	5.107	10	30		EKEELO
N#Cc1ccc([C@]2(CC3CCCC3)c3ccccc3-c3[nH+]ccn32)cc1	ZINC000072109201	216010565	/nfs/dbraw/zinc/01/05/65/216010565.db2.gz	CWKRGQQRVIMALU-HSZRJFAPSA-N	1	2	339.442	5.107	10	30		EKEELO
Cc1ccc2c(c1)/C(=[NH+]\C1CCCCC1)c1cc3ccccc3nc1-2	ZINC000100482805	219100609	/nfs/dbraw/zinc/10/06/09/219100609.db2.gz	VXAWNYJOYYDGBG-WCWDXBQESA-N	1	2	326.443	5.694	10	30		EKEELO
CC1(C)CC(=CC=[NH+]c2ccccc2)C=C(C=CNc2ccccc2)C1	ZINC000101322187	204003593	/nfs/dbraw/zinc/00/35/93/204003593.db2.gz	JTEKENXRFZWTRU-KCKLNXNRSA-N	1	2	342.486	6.688	10	30		EKEELO
CC1(C)CC(=CC=[NH+]c2ccccc2)C=C(C=CNc2ccccc2)C1	ZINC000101322188	204003514	/nfs/dbraw/zinc/00/35/14/204003514.db2.gz	JTEKENXRFZWTRU-RTDYMMRNSA-N	1	2	342.486	6.688	10	30		EKEELO
CC1(C)CC(=CC=[NH+]c2ccccc2)C=C(C=CNc2ccccc2)C1	ZINC000101322189	219121538	/nfs/dbraw/zinc/12/15/38/219121538.db2.gz	JTEKENXRFZWTRU-DRFCJIMHSA-N	1	2	342.486	6.688	10	30		EKEELO
CC1(C)CC(=CC=[NH+]c2ccccc2)C=C(C=CNc2ccccc2)C1	ZINC000101322190	219121253	/nfs/dbraw/zinc/12/12/53/219121253.db2.gz	JTEKENXRFZWTRU-HGVSEBJWSA-N	1	2	342.486	6.688	10	30		EKEELO
CCCCCC/C=C(/C=[NH+]\c1ccccc1C(=O)OC)CCCCC	ZINC000103842813	219325848	/nfs/dbraw/zinc/32/58/48/219325848.db2.gz	IAHAHMKOSPDZNQ-FDEBRDSSSA-N	1	2	343.511	6.653	10	30		EKEELO
CCCCCC/C=C(\C=[NH+]/c1ccccc1C(=O)OC)CCCCC	ZINC000103842815	219326603	/nfs/dbraw/zinc/32/66/03/219326603.db2.gz	IAHAHMKOSPDZNQ-FGOHAZDUSA-N	1	2	343.511	6.653	10	30		EKEELO
CCCCCC/C=C(/C=[NH+]/c1ccccc1C(=O)OC)CCCCC	ZINC000103842821	219326241	/nfs/dbraw/zinc/32/62/41/219326241.db2.gz	IAHAHMKOSPDZNQ-ABPKUWNSSA-N	1	2	343.511	6.653	10	30		EKEELO