smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc1)C2=O	ZINC000514294095	1059090360	/nfs/dbraw/zinc/09/03/60/1059090360.db2.gz	VPDDYIWFTTYTQF-UHFFFAOYSA-N	0	2	514.608	2.724	20	0		KFADLN
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc(Cl)cc1F	ZINC000514296001	1059103416	/nfs/dbraw/zinc/10/34/16/1059103416.db2.gz	DXWKDQGYSGKUEU-INIZCTEOSA-N	0	2	534.031	2.892	20	0		KFADLN
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc(Cl)cc1F	ZINC000514296009	1059103506	/nfs/dbraw/zinc/10/35/06/1059103506.db2.gz	DXWKDQGYSGKUEU-MRXNPFEDSA-N	0	2	534.031	2.892	20	0		KFADLN
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1	ZINC000514303886	1059210480	/nfs/dbraw/zinc/21/04/80/1059210480.db2.gz	QDKMDVWJOYAQPL-UHFFFAOYSA-N	0	2	504.652	2.709	20	0		KFADLN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)c(F)c2F)c1	ZINC000514304699	1059213397	/nfs/dbraw/zinc/21/33/97/1059213397.db2.gz	WQVLYWORRMXBDM-UHFFFAOYSA-N	0	2	507.556	2.772	20	0		KFADLN
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1	ZINC000514380732	1059230047	/nfs/dbraw/zinc/23/00/47/1059230047.db2.gz	OLHFDGPPBVIXLY-UHFFFAOYSA-N	0	2	533.694	2.555	20	0		KFADLN
COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCN(Cc4cc(C)on4)CC3)ccc2OC)cc(OC)c1	ZINC000514387783	1059326385	/nfs/dbraw/zinc/32/63/85/1059326385.db2.gz	QTOZDRDXINOYAP-UHFFFAOYSA-N	0	2	530.603	2.768	20	0		KFADLN
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1	ZINC000514388803	1059332943	/nfs/dbraw/zinc/33/29/43/1059332943.db2.gz	ZSCFIYOFHHLYAE-UHFFFAOYSA-N	0	2	510.512	2.806	20	0		KFADLN
COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCN(Cc4cc(C)no4)CC3)ccc2OC)cc(OC)c1	ZINC000514390248	1059336678	/nfs/dbraw/zinc/33/66/78/1059336678.db2.gz	CSKJWNPCVLNEBM-UHFFFAOYSA-N	0	2	530.603	2.768	20	0		KFADLN
COC(=O)c1ccccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCOC(C)C	ZINC000514390931	1059343880	/nfs/dbraw/zinc/34/38/80/1059343880.db2.gz	CFIFQUWWMKXRMA-UHFFFAOYSA-N	0	2	555.675	2.522	20	0		KFADLN
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000514395435	1059405779	/nfs/dbraw/zinc/40/57/79/1059405779.db2.gz	KHJMGXJJSVANHZ-UHFFFAOYSA-N	0	2	504.652	2.709	20	0		KFADLN
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000514395525	1059404928	/nfs/dbraw/zinc/40/49/28/1059404928.db2.gz	MNSYGDUVRDJSRC-UHFFFAOYSA-N	0	2	516.663	2.853	20	0		KFADLN
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000514395828	1059400990	/nfs/dbraw/zinc/40/09/90/1059400990.db2.gz	UYXGOLAVXPZSAB-UHFFFAOYSA-N	0	2	521.617	2.675	20	0		KFADLN
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000514402894	1059369302	/nfs/dbraw/zinc/36/93/02/1059369302.db2.gz	SQIRESJGEQBLSJ-UHFFFAOYSA-N	0	2	516.663	2.853	20	0		KFADLN
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1	ZINC000514403921	1059376685	/nfs/dbraw/zinc/37/66/85/1059376685.db2.gz	UAIPAWGOOKFAAP-UHFFFAOYSA-N	0	2	509.606	2.531	20	0		KFADLN
CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000514404530	1059419144	/nfs/dbraw/zinc/41/91/44/1059419144.db2.gz	GQBJMPRHGCSHAN-UHFFFAOYSA-N	0	2	503.668	2.743	20	0		KFADLN