smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)CC1	ZINC000216941718	570310006	/nfs/dbraw/zinc/31/00/06/570310006.db2.gz	FPVWLJPSGGXGPE-UHFFFAOYSA-N	1	0	378.469	2.777	40	70		GFIBRO
C[NH+]1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1	ZINC000218425059	570334151	/nfs/dbraw/zinc/33/41/51/570334151.db2.gz	AWNRQSZNKJVHSU-NRFANRHFSA-N	1	0	399.516	2.878	40	70		GFIBRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1	ZINC000216948899	570310228	/nfs/dbraw/zinc/31/02/28/570310228.db2.gz	REMCZWGPTJGGBK-UHFFFAOYSA-N	1	0	392.496	2.918	40	70		GFIBRO
Cc1c(C(=O)CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc2n1C	ZINC000217389568	570315316	/nfs/dbraw/zinc/31/53/16/570315316.db2.gz	HJQQSNSCGVGIRI-DLBZAZTESA-N	1	0	375.472	2.950	40	70		GFIBRO
O=C(NCc1ccco1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000217575521	570318486	/nfs/dbraw/zinc/31/84/86/570318486.db2.gz	JGWQRJGLHWYDOH-FVJLSDCUSA-N	1	0	395.503	2.533	40	70		GFIBRO
O=C(NC1CCCC1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000217582059	570318576	/nfs/dbraw/zinc/31/85/76/570318576.db2.gz	AMLALXPVGJLMPH-FVJLSDCUSA-N	1	0	383.536	2.682	40	70		GFIBRO
C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	ZINC000216920699	570309604	/nfs/dbraw/zinc/30/96/04/570309604.db2.gz	PEORVWAVGOAKMM-UHFFFAOYSA-N	1	0	379.526	2.532	40	70		GFIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1	ZINC000216909358	570309185	/nfs/dbraw/zinc/30/91/85/570309185.db2.gz	LKVCEULHJFGBAX-MRXNPFEDSA-N	1	0	379.526	2.532	40	70		GFIBRO
COc1ccc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216941623	570310028	/nfs/dbraw/zinc/31/00/28/570310028.db2.gz	DZAFRCHOIFDZER-UHFFFAOYSA-N	1	0	390.505	2.647	40	70		GFIBRO
C[NH+]1CCC(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)CC1	ZINC000217030343	570311948	/nfs/dbraw/zinc/31/19/48/570311948.db2.gz	LTRWVEUXBAEJSN-UHFFFAOYSA-N	1	0	394.357	2.872	40	70		GFIBRO
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1NS(=O)(=O)c1ccccc1	ZINC000216944498	570310002	/nfs/dbraw/zinc/31/00/02/570310002.db2.gz	PXUJQJKRKKREFE-UHFFFAOYSA-N	1	0	387.505	2.620	40	70		GFIBRO
NC(=[NH2+])CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000217352381	570315044	/nfs/dbraw/zinc/31/50/44/570315044.db2.gz	SEBGLWIWUQQSSX-UHFFFAOYSA-N	1	0	375.347	2.976	40	70		GFIBRO
O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1	ZINC000217561975	570318138	/nfs/dbraw/zinc/31/81/38/570318138.db2.gz	PECOTYWKYPEQDY-YRXWBPOGSA-N	1	0	378.403	2.661	40	70		GFIBRO
O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1	ZINC000217561903	570318031	/nfs/dbraw/zinc/31/80/31/570318031.db2.gz	PECOTYWKYPEQDY-AKHDSKFASA-N	1	0	378.403	2.661	40	70		GFIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1	ZINC000216909388	570308921	/nfs/dbraw/zinc/30/89/21/570308921.db2.gz	LKVCEULHJFGBAX-INIZCTEOSA-N	1	0	379.526	2.532	40	70		GFIBRO
C[NH+]1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1	ZINC000218425143	530050385	/nfs/dbraw/zinc/05/03/85/530050385.db2.gz	AWNRQSZNKJVHSU-OAQYLSRUSA-N	1	0	399.516	2.878	40	70		GFIBRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccccc3F)cc2)CC1	ZINC000216948800	570310364	/nfs/dbraw/zinc/31/03/64/570310364.db2.gz	DXEBZKXYVGYEJX-UHFFFAOYSA-N	1	0	392.496	2.918	40	70		GFIBRO
COc1ccc(OCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216925351	208825356	/nfs/dbraw/zinc/82/53/56/208825356.db2.gz	WYOOAVKMWUOAAD-UHFFFAOYSA-N	1	0	384.476	2.863	40	70		GFIBRO
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC[NH+](C)CC3)c2)cc1	ZINC000216944072	570309946	/nfs/dbraw/zinc/30/99/46/570309946.db2.gz	NMZDMPIFOPAAKK-UHFFFAOYSA-N	1	0	387.505	2.620	40	70		GFIBRO
COc1ccc(S(=O)(=O)N(CC(N)=[NH2+])c2ccc(C(F)(F)F)cc2)cc1	ZINC000217351510	570314887	/nfs/dbraw/zinc/31/48/87/570314887.db2.gz	IFUWPWUURJZJEI-UHFFFAOYSA-N	1	0	387.383	2.845	40	70		GFIBRO
COc1ccccc1OCC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216927404	570309399	/nfs/dbraw/zinc/30/93/99/570309399.db2.gz	SLQNWIVUOXBTAL-UHFFFAOYSA-N	1	0	384.476	2.863	40	70		GFIBRO
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1S(=O)(=O)Nc1ccccc1	ZINC000216940370	570309853	/nfs/dbraw/zinc/30/98/53/570309853.db2.gz	FUZNQKTVSDVVTA-UHFFFAOYSA-N	1	0	387.505	2.620	40	70		GFIBRO
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NC1CC[NH+](C)CC1	ZINC000216944269	570310020	/nfs/dbraw/zinc/31/00/20/570310020.db2.gz	DVBMIZSEXWYPSM-UHFFFAOYSA-N	1	0	387.505	2.620	40	70		GFIBRO
Cc1c(O)ccc2c(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)oc12	ZINC000217533072	570317672	/nfs/dbraw/zinc/31/76/72/570317672.db2.gz	WAODNQLSDGFDDI-GOEBONIOSA-N	1	0	378.428	2.588	40	70		GFIBRO
C[NH+]1CCC(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	ZINC000216893402	211746561	/nfs/dbraw/zinc/74/65/61/211746561.db2.gz	NDZGROVMZMEKKC-UHFFFAOYSA-N	1	0	379.526	2.532	40	70		GFIBRO
C[NH+]1CCC(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	ZINC000216895834	570309077	/nfs/dbraw/zinc/30/90/77/570309077.db2.gz	UMYVOCRNFHNGCM-UHFFFAOYSA-N	1	0	393.553	2.922	40	70		GFIBRO
COc1ccc(-c2noc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n2)cc1	ZINC000217560229	570318286	/nfs/dbraw/zinc/31/82/86/570318286.db2.gz	SRWKKHYVCDLJAR-GOEBONIOSA-N	1	0	378.432	2.526	40	70		GFIBRO