smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C(/C#N)C(=O)[O-])cc1C#N	ZINC000078870076	957754844	/nfs/dbraw/zinc/75/48/44/957754844.db2.gz	JKOYDKSZIYWZPP-YHYXMXQVSA-N	-1	0	228.207	1.558	50	50		BDGARM
COC(=O)/C(C#N)=C\c1cccc(C(=O)[O-])c1	ZINC000222323188	949566274	/nfs/dbraw/zinc/56/62/74/949566274.db2.gz	STQPUPWFBBYIDF-POHAHGRESA-N	-1	0	231.207	1.465	50	50		BDGARM
CN(C)c1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000000130232	956861203	/nfs/dbraw/zinc/86/12/03/956861203.db2.gz	CXZXLLVNQYUMAW-JXMROGBWSA-N	-1	0	216.240	1.744	50	50		BDGARM
COc1cccc(/C=C(\C#N)C(=O)[O-])c1	ZINC000001625443	956864085	/nfs/dbraw/zinc/86/40/85/956864085.db2.gz	IMEFWVUNBYJXKG-WEVVVXLNSA-N	-1	0	203.197	1.687	50	50		BDGARM
N#C/C(=C\c1ccc(F)cc1F)C(=O)[O-]	ZINC000007155418	956879854	/nfs/dbraw/zinc/87/98/54/956879854.db2.gz	UQLFCBBYHQBVQY-XVNBXDOJSA-N	-1	0	209.151	1.956	50	50		BDGARM
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000001625449	956863772	/nfs/dbraw/zinc/86/37/72/956863772.db2.gz	PRKAGXBESHYXLI-VMPITWQZSA-N	-1	0	218.168	1.586	50	50		BDGARM
COCc1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000083969384	957844997	/nfs/dbraw/zinc/84/49/97/957844997.db2.gz	DCRCKOHNCDYBOB-WDZFZDKYSA-N	-1	0	217.224	1.825	50	50		BDGARM
COc1ccc(/C=C(\C#N)C(=O)[O-])cc1C#N	ZINC000098055984	958355415	/nfs/dbraw/zinc/35/54/15/958355415.db2.gz	JKOYDKSZIYWZPP-BJMVGYQFSA-N	-1	0	228.207	1.558	50	50		BDGARM
COCc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000098013535	958355488	/nfs/dbraw/zinc/35/54/88/958355488.db2.gz	DCRCKOHNCDYBOB-IZZDOVSWSA-N	-1	0	217.224	1.825	50	50		BDGARM
O=C([O-])Cc1cccc(NC(=O)CCl)c1	ZINC000043828304	967528220	/nfs/dbraw/zinc/52/82/20/967528220.db2.gz	JEGAALXSTQWCQY-UHFFFAOYSA-N	-1	0	227.647	1.491	50	50		BDGARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCl	ZINC000000163864	948765457	/nfs/dbraw/zinc/76/54/57/948765457.db2.gz	FUHGSOAURCZWCC-SECBINFHSA-N	-1	0	241.674	1.037	50	50		BDGARM
N#CC(C#N)=CNc1ccccc1C(=O)[O-]	ZINC000002543612	948772967	/nfs/dbraw/zinc/77/29/67/948772967.db2.gz	XQLSFKXOYYUDOY-UHFFFAOYSA-N	-1	0	213.196	1.728	50	50		BDGARM
COc1cccc(/C=C(/C#N)C(=O)[O-])c1	ZINC000012409084	956904100	/nfs/dbraw/zinc/90/41/00/956904100.db2.gz	IMEFWVUNBYJXKG-UITAMQMPSA-N	-1	0	203.197	1.687	50	50		BDGARM
O=C([O-])CCCC(=O)NNc1ccccc1	ZINC000002143647	956863728	/nfs/dbraw/zinc/86/37/28/956863728.db2.gz	QTLKDDFSGWQJKC-UHFFFAOYSA-N	-1	0	222.244	1.385	50	50		BDGARM
O=C([O-])Cc1ccc(NC(=O)CCl)cc1	ZINC000012504935	956904250	/nfs/dbraw/zinc/90/42/50/956904250.db2.gz	DMQOFZHHYJUHLL-UHFFFAOYSA-N	-1	0	227.647	1.491	50	50		BDGARM
O=C([O-])CN(C(=O)CCl)c1ccccc1	ZINC000000334338	956861079	/nfs/dbraw/zinc/86/10/79/956861079.db2.gz	MFUUKPXESMFXBH-UHFFFAOYSA-N	-1	0	227.647	1.343	50	50		BDGARM
COc1ccc(/C=C(\C#N)C(=O)[O-])cc1C	ZINC000002546564	956865937	/nfs/dbraw/zinc/86/59/37/956865937.db2.gz	WJAACEDNUIAPRI-UXBLZVDNSA-N	-1	0	217.224	1.995	50	50		BDGARM
COc1ccc(OC)c(/C=C(\C#N)C(=O)[O-])c1	ZINC000002565492	956866966	/nfs/dbraw/zinc/86/69/66/956866966.db2.gz	TVBGWSXPCSOWJK-WEVVVXLNSA-N	-1	0	233.223	1.695	50	50		BDGARM
Cc1cc(C(=O)[O-])ccc1NC(=O)CCl	ZINC000009235599	956887913	/nfs/dbraw/zinc/88/79/13/956887913.db2.gz	HFRKTMHATDTBTC-UHFFFAOYSA-N	-1	0	227.647	1.871	50	50		BDGARM
O=C([O-])c1ccccc1NC(=O)CCl	ZINC000000507600	956861850	/nfs/dbraw/zinc/86/18/50/956861850.db2.gz	OKAPEGBSNZHDIW-UHFFFAOYSA-N	-1	0	213.620	1.562	50	50		BDGARM
O=C([O-])c1ccc(NC(=O)CCl)cc1	ZINC000000155972	956860334	/nfs/dbraw/zinc/86/03/34/956860334.db2.gz	FNXAWVZXABMYRM-UHFFFAOYSA-N	-1	0	213.620	1.562	50	50		BDGARM
COc1cccc(/C=C(\C#N)C(=O)[O-])c1OC	ZINC000002154781	956864538	/nfs/dbraw/zinc/86/45/38/956864538.db2.gz	IPADMOLZRSBMEV-RMKNXTFCSA-N	-1	0	233.223	1.695	50	50		BDGARM
O=C([O-])c1cnc(NC(=O)CCl)s1	ZINC000226015458	959869135	/nfs/dbraw/zinc/86/91/35/959869135.db2.gz	DYGYCSYGKRQRRR-UHFFFAOYSA-N	-1	0	220.637	1.019	50	50		BDGARM
O=C([O-])c1cccc(NC(=O)CCl)c1	ZINC000002774247	956866430	/nfs/dbraw/zinc/86/64/30/956866430.db2.gz	UDZHNOUYXZRNPF-UHFFFAOYSA-N	-1	0	213.620	1.562	50	50		BDGARM
COc1ccc(/C=C(\C#N)C(=O)[O-])cc1O	ZINC000005670792	956872106	/nfs/dbraw/zinc/87/21/06/956872106.db2.gz	VVHLXBQHHCDWNZ-XBXARRHUSA-N	-1	0	219.196	1.392	50	50		BDGARM
Cc1ccc(C(=O)[O-])cc1NC(=O)CCl	ZINC000003886758	956868883	/nfs/dbraw/zinc/86/88/83/956868883.db2.gz	FEQRNTYJUDHNDJ-UHFFFAOYSA-N	-1	0	227.647	1.871	50	50		BDGARM
O=C([O-])c1ccc(CNC(=O)CCl)cc1	ZINC000002650192	948765422	/nfs/dbraw/zinc/76/54/22/948765422.db2.gz	VZLSDUUGXHOISG-UHFFFAOYSA-N	-1	0	227.647	1.240	50	50		BDGARM
O=C([O-])c1cccc(CNC(=O)CCl)c1	ZINC000003161436	956867196	/nfs/dbraw/zinc/86/71/96/956867196.db2.gz	SXSAYQRAIHEUBP-UHFFFAOYSA-N	-1	0	227.647	1.240	50	50		BDGARM
CN(C)c1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000012339864	956904063	/nfs/dbraw/zinc/90/40/63/956904063.db2.gz	CXZXLLVNQYUMAW-YFHOEESVSA-N	-1	0	216.240	1.744	50	50		BDGARM