smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOC(=S)Nc1ccccc1	34160682	166195636	/nfs/dbraw/zinc/19/56/36/166195636.db2.gz	LQQGWLWUFQVGAB-UHFFFAOYSA-N	0	2	193.271	2.586	50	30		AFEALN
N#Cc1c(Cl)ccc(O)c1Cl	2027155	169114116	/nfs/dbraw/zinc/11/41/16/169114116.db2.gz	JAIIUXZFGCEYAH-UHFFFAOYSA-N	0	2	188.013	2.571	50	30		AFEALN
N#Cc1ccc(Cl)c(Cl)c1O	196600922	169122074	/nfs/dbraw/zinc/12/20/74/169122074.db2.gz	PKURWWNWSLXZHM-UHFFFAOYSA-N	0	2	188.013	2.571	50	30		AFEALN
O/N=C/c1ccccc1C(F)(F)F	1855607	169313558	/nfs/dbraw/zinc/31/35/58/169313558.db2.gz	GBZLIAANNYDSOB-LFYBBSHMSA-N	0	2	189.136	2.514	50	30	in-vitro	AFEALN
O=CC=C(O)c1cccc2ccccc12	101836009	169396434	/nfs/dbraw/zinc/39/64/34/169396434.db2.gz	KCKPOTAUKYJUEG-UHFFFAOYSA-N	0	2	198.221	2.612	50	30		AFEALN
O=CC=C(O)c1ccc2ccccc2c1	101836340	169396729	/nfs/dbraw/zinc/39/67/29/169396729.db2.gz	JUNLIRUNUBSFPN-UHFFFAOYSA-N	0	2	198.221	2.612	50	30		AFEALN
N#CCC(=O)c1cc2ccccc2o1	2037392	171004253	/nfs/dbraw/zinc/00/42/53/171004253.db2.gz	GCABLKFGYPIVFC-UHFFFAOYSA-N	0	2	185.182	2.529	50	30		AFEALN
O/N=C(\c1ccccc1)c1ccco1	4798566	171014011	/nfs/dbraw/zinc/01/40/11/171014011.db2.gz	QVTOATOPMUKDLA-VAWYXSNFSA-N	0	2	187.198	2.506	50	30		AFEALN
O/N=C(\Cl)c1ccccc1Cl	5945736	171019030	/nfs/dbraw/zinc/01/90/30/171019030.db2.gz	OXNDXWTURCMXJF-YFHOEESVSA-N	0	2	190.029	2.715	50	30	in-vitro	AFEALN
O=C1C=C(O)c2cccc3cccc1c23	100081252	171143799	/nfs/dbraw/zinc/14/37/99/171143799.db2.gz	DXBYIIARRIMNFJ-UHFFFAOYSA-N	0	2	196.205	2.935	50	30		AFEALN
O/N=C(\Cl)c1ccc(Cl)cc1	100007692	207354560	/nfs/dbraw/zinc/35/45/60/207354560.db2.gz	JPBNMRDGFBFKLT-YFHOEESVSA-N	0	2	190.029	2.715	50	30	in-vitro	AFEALN
O/N=C(/Cl)c1ccc(Cl)cc1	4530426	342992896	/nfs/dbraw/zinc/99/28/96/342992896.db2.gz	JPBNMRDGFBFKLT-JXMROGBWSA-N	0	2	190.029	2.715	50	30		AFEALN
ON=Cc1ccccc1C(F)(F)F	242495341	351827791	/nfs/dbraw/zinc/82/77/91/351827791.db2.gz	GBZLIAANNYDSOB-UHFFFAOYSA-N	0	2	189.136	2.514	50	30		AFEALN
ON=C(Cl)c1ccccc1Cl	252586298	351840800	/nfs/dbraw/zinc/84/08/00/351840800.db2.gz	OXNDXWTURCMXJF-UHFFFAOYSA-N	0	2	190.029	2.715	50	30		AFEALN