smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000000220240	563579211	/nfs/dbraw/zinc/57/92/11/563579211.db2.gz	SICNOJYBGRITJI-KEBDBYFISA-N	-1	1	315.731	5.195	50	30		DKEAMM
Cc1ccc(SCC/C(=N/[O-])c2ccc(Cl)cc2)cc1	ZINC000001404589	563819581	/nfs/dbraw/zinc/81/95/81/563819581.db2.gz	TUJXELMVDDHPHD-VLGSPTGOSA-N	-1	1	305.830	5.009	50	30		DKEAMM
O=C1c2ccccc2C(=O)C(CCCCC2CCCCC2)=C1[O-]	ZINC000001663844	563290048	/nfs/dbraw/zinc/29/00/48/563290048.db2.gz	DZQZYCDTSBGVHT-UHFFFAOYSA-N	-1	1	312.409	5.018	50	30		DKEAMM
[O-]c1ccc(Cl)cc1/N=C/c1ccc(Cl)cc1Cl	ZINC000002143615	563846784	/nfs/dbraw/zinc/84/67/84/563846784.db2.gz	IENMZNPGGKSZIL-REZTVBANSA-N	-1	1	300.572	5.103	50	30		DKEAMM
[O-]c1ccc(Cl)cc1/N=C/c1c(Cl)cccc1Cl	ZINC000003091560	568416831	/nfs/dbraw/zinc/41/68/31/568416831.db2.gz	CXWPDCSEVRZHOS-REZTVBANSA-N	-1	1	300.572	5.103	50	30		DKEAMM
Cc1cc(C)c([O-])c(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1	ZINC000004423314	181108911	/nfs/dbraw/zinc/10/89/11/181108911.db2.gz	IZKCPVCPBZUICR-GQCTYLIASA-N	-1	1	321.203	5.212	50	30		DKEAMM
CCCCCCCCCCCCCCCC[P@](=O)([O-])O	ZINC000006921194	563335016	/nfs/dbraw/zinc/33/50/16/563335016.db2.gz	JDPSFRXPDJVJMV-UHFFFAOYSA-N	-1	1	306.427	5.645	50	30		DKEAMM
O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1ccc([O-])cc1	ZINC000008518219	527626872	/nfs/dbraw/zinc/62/68/72/527626872.db2.gz	DEIGGBZKUIHETC-NTEUORMPSA-N	-1	1	316.356	5.081	50	30		DKEAMM
[O-]c1ccc(Cl)cc1/N=C/c1sc2ccccc2c1Cl	ZINC000013110410	563378335	/nfs/dbraw/zinc/37/83/35/563378335.db2.gz	AWZCZZCNLMDIIW-QGMBQPNBSA-N	-1	1	322.216	5.664	50	30		DKEAMM
[O-]c1cc(Cl)ccc1/N=C/c1ccc(Cl)cc1Cl	ZINC000013896049	563391222	/nfs/dbraw/zinc/39/12/22/563391222.db2.gz	DXJHZLKDTQBGEQ-REZTVBANSA-N	-1	1	300.572	5.103	50	30		DKEAMM
O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc([O-])cc1	ZINC000033477557	527653885	/nfs/dbraw/zinc/65/38/85/527653885.db2.gz	ZKWWAUZSPGBBNQ-LUAWRHEFSA-N	-1	1	324.763	5.202	50	30		DKEAMM
O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1ccc([O-])cc1	ZINC000033502618	527657152	/nfs/dbraw/zinc/65/71/52/527657152.db2.gz	DEIGGBZKUIHETC-ZROIWOOFSA-N	-1	1	316.356	5.081	50	30		DKEAMM
CCCCCCCCCCOc1ccc(/C(CC)=N/[O-])c(O)c1	ZINC000100167546	563547317	/nfs/dbraw/zinc/54/73/17/563547317.db2.gz	HWOGLWGFRRJDEC-CZIZESTLSA-N	-1	1	321.461	5.500	50	30		DKEAMM
[O-]/N=C1\CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000100222022	563548245	/nfs/dbraw/zinc/54/82/45/563548245.db2.gz	CGIUOCJZIYTDRG-CMOQCGFASA-N	-1	1	306.192	5.097	50	30	in-vitro	DKEAMM
[O-]/N=C1\CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000100222025	563548252	/nfs/dbraw/zinc/54/82/52/563548252.db2.gz	CGIUOCJZIYTDRG-JVRXMHAUSA-N	-1	1	306.192	5.097	50	30	in-vitro	DKEAMM
CCCCCCCCCCCCCC(=O)c1ccc([O-])cc1O	ZINC000100730613	563962084	/nfs/dbraw/zinc/96/20/84/563962084.db2.gz	CMOCRJYBTXGTKH-UHFFFAOYSA-N	-1	1	320.473	5.982	50	30		DKEAMM