smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+]([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)CC2)cc1	ZINC000055089266	563142317	/nfs/dbraw/zinc/14/23/17/563142317.db2.gz	JDTGLYGWKHGPRN-QFIPXVFZSA-N	1	1	443.613	3.287	3	10		IGCFMO
CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1	ZINC000055284494	563142521	/nfs/dbraw/zinc/14/25/21/563142521.db2.gz	PXPXXKFMPZHKPB-JOCHJYFZSA-N	1	1	443.613	3.233	3	10		IGCFMO
CC[N@H+]1CC[C@H]2c3c(O)c(O)ccc3C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1	ZINC000095594575	563191095	/nfs/dbraw/zinc/19/10/95/563191095.db2.gz	SAOYHLZQJFKNNK-IFVYDKLZSA-N	1	1	440.540	3.108	1	10		IGCFMO
CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(C[NH+]2CCN(CC)CC2)c1	ZINC000040565655	563104873	/nfs/dbraw/zinc/10/48/73/563104873.db2.gz	IRTLLHBENDOFNZ-UHFFFAOYSA-N	1	1	435.528	3.124	1	10		IGCFMO
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C[NH2+]CC2	ZINC000038799623	563098248	/nfs/dbraw/zinc/09/82/48/563098248.db2.gz	ZFACXJFGUZPDGM-UHFFFAOYSA-N	1	1	427.913	3.413	1	10		IGCFMO
C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(N(C)C)cc2CC1=O	ZINC000095599240	563192443	/nfs/dbraw/zinc/19/24/43/563192443.db2.gz	HWXSLMBRTOGLCI-OHUGHZGNSA-N	1	1	439.600	3.034	1	10		IGCFMO
COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@@H](CN(C)C)[NH+](C)C)c3nc12	ZINC000027858517	563047471	/nfs/dbraw/zinc/04/74/71/563047471.db2.gz	SPEICNFQPKVNFM-INIZCTEOSA-N	1	1	431.540	3.166	1	10		IGCFMO
CCc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1	ZINC000055284489	563142611	/nfs/dbraw/zinc/14/26/11/563142611.db2.gz	PXPXXKFMPZHKPB-QFIPXVFZSA-N	1	1	443.613	3.233	3	10		IGCFMO
COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@@H+](CCCOc3ccc(N)cc3)C1)CC2	ZINC000013558950	562993658	/nfs/dbraw/zinc/99/36/58/562993658.db2.gz	FOHNDPKHUOZSGF-HXUWFJFHSA-N	1	1	439.556	3.218	1	10		IGCFMO
COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@H](CN(C)C)[NH+](C)C)c3nc12	ZINC000027858523	563047443	/nfs/dbraw/zinc/04/74/43/563047443.db2.gz	SPEICNFQPKVNFM-MRXNPFEDSA-N	1	1	431.540	3.166	1	10		IGCFMO
COc1ccc(N2CCN(Cc3cn(-c4cc(C)[nH+]c5ccc(OC)cc54)nn3)CC2)cc1	ZINC000064510688	563154012	/nfs/dbraw/zinc/15/40/12/563154012.db2.gz	KEKPAYMIDZZACY-UHFFFAOYSA-N	1	1	444.539	3.463	1	10		IGCFMO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)CC2)cc1	ZINC000055089267	563142315	/nfs/dbraw/zinc/14/23/15/563142315.db2.gz	JDTGLYGWKHGPRN-JOCHJYFZSA-N	1	1	443.613	3.287	3	10		IGCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnco2)cc1	ZINC000095598619	563192231	/nfs/dbraw/zinc/19/22/31/563192231.db2.gz	MFWWMMTXUZBNQU-IYBDPMFKSA-N	1	1	442.541	3.338	1	10		IGCFMO
COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@@H+](CCCOc3ccc(N)cc3)C1)CC2	ZINC000013558951	562993677	/nfs/dbraw/zinc/99/36/77/562993677.db2.gz	FOHNDPKHUOZSGF-FQEVSTJZSA-N	1	1	439.556	3.218	1	10		IGCFMO