smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(=C/c1cc2ccc(C3=NCCN3)cc2o1)\c1cc2ccc(C3=[NH+]CCN3)cc2[nH]1	ZINC000006535074	204182720	/nfs/dbraw/zinc/18/27/20/204182720.db2.gz	KOUAOUCNWIWSBZ-AATRIKPKSA-N	1	3	395.466	3.784	1	0		GHAFHO
CCC(=O)N(Cc1cccc(C[NH3+])c1)C1CCN(CCc2ccccc2)CC1	ZINC000066112380	222137513	/nfs/dbraw/zinc/13/75/13/222137513.db2.gz	GWUPTXIRXYWEQM-UHFFFAOYSA-N	1	3	379.548	3.591	1	0		GHAFHO
N[C@H](Cc1ccc(Cl)cc1)C(=O)N(CC[NH3+])C1CCC2(CCCCC2)CC1	ZINC000028825800	207349258	/nfs/dbraw/zinc/34/92/58/207349258.db2.gz	STZRVBRXMQXMKW-HXUWFJFHSA-N	1	3	391.987	3.890	1	0		GHAFHO
OC[C@@H]1[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1	ZINC000084730155	208098970	/nfs/dbraw/zinc/09/89/70/208098970.db2.gz	ZYXIICVCCTVXCC-QVXKZJQXSA-N	1	3	376.544	3.953	1	0		GHAFHO
OC[C@@H]1[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1	ZINC000084730155	208098974	/nfs/dbraw/zinc/09/89/74/208098974.db2.gz	ZYXIICVCCTVXCC-QVXKZJQXSA-N	1	3	376.544	3.953	1	0		GHAFHO
c1c2ccc(C3=NCCN3)cc2oc1CCc1cc2cc(C3=[NH+]CCN3)ccc2o1	ZINC000028870077	207349466	/nfs/dbraw/zinc/34/94/66/207349466.db2.gz	ZFFUVQFMTWBYOV-UHFFFAOYSA-N	1	3	398.466	3.664	1	0		GHAFHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000025969960	207306589	/nfs/dbraw/zinc/30/65/89/207306589.db2.gz	NJKVDHNCZXNKGW-UHFFFAOYSA-N	1	3	392.290	3.758	1	0		GHAFHO
CN1CCN(C23C[C@H](c4ccccc4)C([NH2+]CC2)[C@H](c2ccccc2)C3)CC1	ZINC000073198836	208034633	/nfs/dbraw/zinc/03/46/33/208034633.db2.gz	XTNVXJGSBYNDLY-KFULVZMISA-N	1	3	375.560	3.696	1	0		GHAFHO
O=C([C@H]1CC12CC[NH+](C1CCCCC1)CC2)N1CCN(C2CCCCC2)CC1	ZINC000103244110	211424823	/nfs/dbraw/zinc/42/48/23/211424823.db2.gz	QPIDVPNKLQNIIZ-JOCHJYFZSA-N	1	3	387.612	3.898	1	0		GHAFHO
OC[C@H]1[C@H]2C[N@H+](Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCCC1	ZINC000084671463	211172016	/nfs/dbraw/zinc/17/20/16/211172016.db2.gz	ZYXIICVCCTVXCC-ZLOLNMDISA-N	1	3	376.544	3.953	1	0		GHAFHO
OC[C@H]1[C@H]2C[N@@H+](Cc3ccccc3)[C@H](c3ccccc3)[C@H]2[C@@H]1N1CCCCC1	ZINC000084671463	211172019	/nfs/dbraw/zinc/17/20/19/211172019.db2.gz	ZYXIICVCCTVXCC-ZLOLNMDISA-N	1	3	376.544	3.953	1	0		GHAFHO
Cc1cc(-c2nc3ccc(F)cc3s2)ccc1NC(=O)[C@H](N)CCCC[NH3+]	ZINC000001658414	212251355	/nfs/dbraw/zinc/25/13/55/212251355.db2.gz	WZUGGDRUAVBJIH-OAHLLOKOSA-N	1	3	386.496	3.806	1	0		GHAFHO