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+]1CCN(c2ccc([C@@H](CC(N)=O)NC(=O)Cc3cccc4ccccc43)cc2[N+](=O)[O-])CC1	ZINC000015937478	563012371	/nfs/dbraw/zinc/01/23/71/563012371.db2.gz	VRDZWYCSNKSCMY-JOCHJYFZSA-N	1	1	475.549	2.775	3	10		JFCFMO
C[NH+]1CCN(c2c(C[C@H]3SC(=S)NC3=O)c(C(F)(F)F)nn2-c2ccccc2)CC1	ZINC000028822908	563081451	/nfs/dbraw/zinc/08/14/51/563081451.db2.gz	GGDXEGMZQANFTA-CQSZACIVSA-N	1	1	455.531	2.702	1	10		JFCFMO
NC(=[NH2+])NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc32)cc1	ZINC000026846997	563037131	/nfs/dbraw/zinc/03/71/31/563037131.db2.gz	LCPSXEOZXWQDBQ-UHFFFAOYSA-N	1	1	491.577	2.845	1	10		JFCFMO
COc1cc2c3c(n(CCC[N@H+]4CCC[C@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064636	563118627	/nfs/dbraw/zinc/11/86/27/563118627.db2.gz	HFAMICGWCKPRLI-HNNXBMFYSA-N	1	1	492.528	2.806	1	10		JFCFMO
COc1cc2c3c(n(CCC[N@H+]4CCC[C@@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064639	563118688	/nfs/dbraw/zinc/11/86/88/563118688.db2.gz	HFAMICGWCKPRLI-OAHLLOKOSA-N	1	1	492.528	2.806	1	10		JFCFMO
C[NH+]1CCN(c2c(C[C@@H]3SC(=S)NC3=O)c(C(F)(F)F)nn2-c2ccccc2)CC1	ZINC000028822907	563081503	/nfs/dbraw/zinc/08/15/03/563081503.db2.gz	GGDXEGMZQANFTA-AWEZNQCLSA-N	1	1	455.531	2.702	1	10		JFCFMO
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(=O)NCC(N)=O)cccc12	ZINC000029472801	563104730	/nfs/dbraw/zinc/10/47/30/563104730.db2.gz	PTULYLGPGUQFIN-UHFFFAOYSA-N	1	1	492.561	2.760	1	10		JFCFMO
COc1cc2c3c(n(CCN(C)C)c(=O)c2cc1OC)-c1ccc(OCC[NH+](C)C)cc1C3=O	ZINC000045497592	563196131	/nfs/dbraw/zinc/19/61/31/563196131.db2.gz	UMPNEILIWMPHIU-UHFFFAOYSA-N	1	1	465.550	2.732	1	10		JFCFMO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(=O)NCC(N)=O)cccc12	ZINC000029346037	563101317	/nfs/dbraw/zinc/10/13/17/563101317.db2.gz	HJPHVYDSLSTSRB-UHFFFAOYSA-N	1	1	493.545	2.727	1	10		JFCFMO
C[NH+]1CCN(c2ccc([C@H](CC(N)=O)NC(=O)Cc3cccc4ccccc43)cc2[N+](=O)[O-])CC1	ZINC000015937479	563012363	/nfs/dbraw/zinc/01/23/63/563012363.db2.gz	VRDZWYCSNKSCMY-QFIPXVFZSA-N	1	1	475.549	2.775	3	10		JFCFMO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCN(Cc2ccc(N)cc2)CC1	ZINC000045498671	563196290	/nfs/dbraw/zinc/19/62/90/563196290.db2.gz	AGHJTSUKNAUSLC-BJKOFHAPSA-N	1	1	454.615	2.883	1	10		JFCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000029124663	563094405	/nfs/dbraw/zinc/09/44/05/563094405.db2.gz	KCKWBDPWXNMHNS-CALCHBBNSA-N	1	1	458.584	2.809	1	10		JFCFMO