smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2oc3cc(O)c(Cl)cc3c2C(=O)c2ccccc21	ZINC000001629392	567839679	/nfs/dbraw/zinc/83/96/79/567839679.db2.gz	MELMDXKYKAAXAZ-UHFFFAOYSA-N	0	1	298.681	3.567	40	10		CHCBMN
[O-]c1ccc(Br)cc1C[NH2+]C1CCCCC1	ZINC000001594248	567839026	/nfs/dbraw/zinc/83/90/26/567839026.db2.gz	OMAUNCJYYFVHSX-UHFFFAOYSA-N	0	1	284.197	3.577	40	10		CHCBMN
O=[N+]([O-])c1c(O)c(O)c2ccccc2c1Nc1ccccc1	ZINC000035375818	172161699	/nfs/dbraw/zinc/16/16/99/172161699.db2.gz	PKEWTEZULMXMKS-UHFFFAOYSA-N	0	1	296.282	3.903	40	10		CHCBMN
COc1ccc2c(c1)nccc2Nc1ccc(N)cc1	ZINC000064875349	567110119	/nfs/dbraw/zinc/11/01/19/567110119.db2.gz	VQXLXGMFPMMDTK-UHFFFAOYSA-N	0	1	265.316	3.569	40	10		CHCBMN
COc1cc2nccc(Nc3ccc(N)cc3)c2cc1OC	ZINC000038352827	567951402	/nfs/dbraw/zinc/95/14/02/567951402.db2.gz	JIOURXJIGAITPI-UHFFFAOYSA-N	0	1	295.342	3.578	40	10		CHCBMN
CN(C)N=Nc1c(-c2cccs2)[nH]nc1C(F)(F)F	ZINC000104119118	567916092	/nfs/dbraw/zinc/91/60/92/567916092.db2.gz	OHBSWBPJBGUEEQ-ICFOKQHNSA-N	0	1	289.286	3.717	40	10		CHCBMN
CCOC(=O)[C@H](N=Nc1ccccc1)C(=O)c1ccccc1	ZINC000100331470	567912843	/nfs/dbraw/zinc/91/28/43/567912843.db2.gz	DLECBBNFHIPMHB-AMGRQBIBSA-N	0	1	296.326	3.585	40	10		CHCBMN
Cc1ccc([C@H]([NH3+])c2ccc3ccccc3c2[O-])cc1	ZINC000032098991	567885610	/nfs/dbraw/zinc/88/56/10/567885610.db2.gz	PBWRKTMVIOSTKI-KRWDZBQOSA-N	0	1	263.340	3.902	40	10		CHCBMN
CCOC(=O)[C@@H](N=Nc1ccccc1)C(=O)c1ccccc1	ZINC000100331475	567912830	/nfs/dbraw/zinc/91/28/30/567912830.db2.gz	DLECBBNFHIPMHB-MJWGMMHASA-N	0	1	296.326	3.585	40	10		CHCBMN
[O-]c1ccc2ccccc2c1C[NH2+]C1CCCCC1	ZINC000001681085	567937448	/nfs/dbraw/zinc/93/74/48/567937448.db2.gz	PSNXTYKFJNITBW-UHFFFAOYSA-N	0	1	255.361	3.968	40	10		CHCBMN
CN(C)N=Nc1c(-c2cccs2)[nH]nc1C(F)(F)F	ZINC000018115525	567876362	/nfs/dbraw/zinc/87/63/62/567876362.db2.gz	OHBSWBPJBGUEEQ-BMRADRMJSA-N	0	1	289.286	3.717	40	10		CHCBMN
COc1ccc2nccc(Nc3ccc(N)cc3)c2c1	ZINC000064875336	567110182	/nfs/dbraw/zinc/11/01/82/567110182.db2.gz	PSGNKPWRMFCIQJ-UHFFFAOYSA-N	0	1	265.316	3.569	40	10		CHCBMN
CCOC(=O)[C@H](N=Nc1ccccc1)C(=O)c1ccccc1	ZINC000100331466	567912875	/nfs/dbraw/zinc/91/28/75/567912875.db2.gz	DLECBBNFHIPMHB-RAJOGRCSSA-N	0	1	296.326	3.585	40	10		CHCBMN
CCOC(=O)[C@@H](N=Nc1ccccc1)C(=O)c1ccccc1	ZINC000100331472	567912864	/nfs/dbraw/zinc/91/28/64/567912864.db2.gz	DLECBBNFHIPMHB-IJYGLTAASA-N	0	1	296.326	3.585	40	10		CHCBMN
Cc1ccc([C@@H]([NH3+])c2ccc3ccccc3c2[O-])cc1	ZINC000032098990	567885527	/nfs/dbraw/zinc/88/55/27/567885527.db2.gz	PBWRKTMVIOSTKI-QGZVFWFLSA-N	0	1	263.340	3.902	40	10		CHCBMN
COc1ccc2oc(=O)c(C3=CC=CCC3=S)c(C)c2c1	ZINC000071405004	176155553	/nfs/dbraw/zinc/15/55/53/176155553.db2.gz	CZWDEYANOLFNAO-UHFFFAOYSA-N	0	1	298.363	3.823	40	10		CHCBMN
O=C1C=CC(=NNc2n[nH]c(-c3ccc(F)cc3)n2)C=C1	ZINC000022781035	171399025	/nfs/dbraw/zinc/39/90/25/171399025.db2.gz	DBQSESGEUQIHQL-ZPHPHTNESA-N	0	1	283.266	3.732	40	10		CHCBMN
Cc1cc2nc(-c3ccc(N(C)C)cc3)[nH]c2c(C)c1	ZINC000122329932	187027157	/nfs/dbraw/zinc/02/71/57/187027157.db2.gz	LTIJXCXWEVBZGB-UHFFFAOYSA-N	0	1	265.360	3.913	40	10		CHCBMN
[O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1	ZINC000004934792	170042192	/nfs/dbraw/zinc/04/21/92/170042192.db2.gz	GHXHNLPIXBQUDS-RYUDHWBXSA-N	0	1	265.784	3.668	40	10		CHCBMN
[O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CC[C@@H](C2)C1	ZINC000004934792	170042193	/nfs/dbraw/zinc/04/21/93/170042193.db2.gz	GHXHNLPIXBQUDS-RYUDHWBXSA-N	0	1	265.784	3.668	40	10		CHCBMN