smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1	ZINC001236796344	1128892151	/nfs/dbraw/zinc/89/21/51/1128892151.db2.gz	OFMNUGGGBFQOGY-SNVBAGLBSA-N	-1	2	299.201	3.825	20	30		CHEDLM
[O-]/N=C1/CCc2cc(-c3c(F)cc(F)c(O)c3F)ccc21	ZINC001236000868	1130830580	/nfs/dbraw/zinc/83/05/80/1130830580.db2.gz	YQXVOMKSXLUXID-UNOMPAQXSA-N	-1	2	293.244	3.601	20	30		CHEDLM
[O-]c1c(F)cc(F)c(-c2ccc3c(c2)CC/C3=N/O)c1F	ZINC001236000868	1130830589	/nfs/dbraw/zinc/83/05/89/1130830589.db2.gz	YQXVOMKSXLUXID-UNOMPAQXSA-N	-1	2	293.244	3.601	20	30		CHEDLM
N#Cc1c([O-])csc1Nc1c(Cl)ccc(O)c1F	ZINC001214556011	1129428009	/nfs/dbraw/zinc/42/80/09/1129428009.db2.gz	GBLKZQYVMWZLJC-UHFFFAOYSA-N	-1	2	284.699	3.567	20	30		CHEDLM
N#CCC[N@@H+](Cc1ccc(Cl)c(O)c1)C1CCCC1	ZINC001231737012	1132350477	/nfs/dbraw/zinc/35/04/77/1132350477.db2.gz	JYTHQPDGHRYMOE-UHFFFAOYSA-N	-1	2	278.783	3.704	20	30		CHEDLM
[S-]c1cc(S)cc(NCC#Cc2ccccc2)c1	ZINC001170429428	1130537549	/nfs/dbraw/zinc/53/75/49/1130537549.db2.gz	FPRQYZBJIJFDQX-UHFFFAOYSA-N	-1	2	271.410	3.728	20	30		CHEDLM
N#CC1=C(Nc2ccc(Cl)c([O-])c2F)SCC1=O	ZINC001214796296	1134573522	/nfs/dbraw/zinc/57/35/22/1134573522.db2.gz	NKFMEGDWOLDJIQ-UHFFFAOYSA-N	-1	2	284.699	3.567	20	30		CHEDLM
N#C[C@H](Nc1cc([S-])cc(S)c1)c1ccccc1	ZINC001161721120	1133020154	/nfs/dbraw/zinc/02/01/54/1133020154.db2.gz	KHPIIFFIJUTDBE-AWEZNQCLSA-N	-1	2	272.398	3.941	20	30		CHEDLM
N#Cc1ccc(CCNc2cc([S-])cc(S)c2)cc1	ZINC001167679358	1119659799	/nfs/dbraw/zinc/65/97/99/1119659799.db2.gz	NULRAHQRKWWJGL-UHFFFAOYSA-N	-1	2	286.425	3.790	20	30		CHEDLM
N#C[C@@H](Nc1cc([S-])cc(S)c1)c1ccccc1	ZINC001161721121	1133020367	/nfs/dbraw/zinc/02/03/67/1133020367.db2.gz	KHPIIFFIJUTDBE-CQSZACIVSA-N	-1	2	272.398	3.941	20	30		CHEDLM
N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1	ZINC001236796337	1128892111	/nfs/dbraw/zinc/89/21/11/1128892111.db2.gz	OFMNUGGGBFQOGY-JTQLQIEISA-N	-1	2	299.201	3.825	20	30		CHEDLM
CC1(C)CC(=O)C=C(Nc2cc([S-])cc(S)c2)C1	ZINC001169952668	1129767242	/nfs/dbraw/zinc/76/72/42/1129767242.db2.gz	DLAVWLRBLLZYTE-UHFFFAOYSA-N	-1	2	279.430	3.949	20	30		CHEDLM
N#C[C@H]1CC[C@H](Nc2cc([S-])cc(S)c2)CC1	ZINC001167845712	1121088160	/nfs/dbraw/zinc/08/81/60/1121088160.db2.gz	OTICNZQPDMVYCM-MGCOHNPYSA-N	-1	2	264.419	3.758	20	30		CHEDLM
C=C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1	ZINC000781908501	1130746808	/nfs/dbraw/zinc/74/68/08/1130746808.db2.gz	JTEKRXXDQRGWES-UHFFFAOYSA-N	-1	2	296.208	3.615	20	30		CHEDLM