smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(CO)(Cc2ccccc2)CC1	ZINC000217624600	562877641	/nfs/dbraw/zinc/87/76/41/562877641.db2.gz	NXHOWUARWCORFV-UHFFFAOYSA-N	-1	0	515.635	4.493	1	70		KIIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(CCC(F)(F)F)CC1	ZINC000217625463	562877662	/nfs/dbraw/zinc/87/76/62/562877662.db2.gz	UDCZALFZZQLUEL-UHFFFAOYSA-N	-1	0	513.563	4.407	1	70		KIIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cc(F)cnc32)cc1)N1CCC(O)(Cc2ccccc2)CC1	ZINC000217630023	562877682	/nfs/dbraw/zinc/87/76/82/562877682.db2.gz	CXFNLQVBBXXSRO-UHFFFAOYSA-N	-1	0	519.598	4.385	1	70		KIIFRM
Cc1cc(C(=O)N2CCC(O)(c3cccc(F)c3F)CC2)ccc1[N-]S(=O)(=O)c1cccc2nccnc21	ZINC000217630578	562877658	/nfs/dbraw/zinc/87/76/58/562877658.db2.gz	OPBSYUPSUQHJTM-UHFFFAOYSA-N	-1	0	538.576	4.141	1	70		KIIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3cc(F)cnc32)cc1)N1CCC(O)(c2ccccc2)CC1	ZINC000217631705	562877668	/nfs/dbraw/zinc/87/76/68/562877668.db2.gz	KXJBCHBLNORODC-UHFFFAOYSA-N	-1	0	505.571	4.299	1	70		KIIFRM
CC(C)CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4nccnc43)cc2OC(F)F)CC1	ZINC000217635376	562877684	/nfs/dbraw/zinc/87/76/84/562877684.db2.gz	UZTZRFUFOQSYLV-UHFFFAOYSA-N	-1	0	534.585	4.045	1	70		KIIFRM
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(F)cc4sc(N)nc43)cc2)CC1	ZINC000217712647	562877712	/nfs/dbraw/zinc/87/77/12/562877712.db2.gz	NMJCCLGAAUTDFZ-UHFFFAOYSA-N	-1	0	542.605	4.221	1	70		KIIFRM
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4nccnc43)cc2OC(F)F)CC1	ZINC000217719638	562877701	/nfs/dbraw/zinc/87/77/01/562877701.db2.gz	JWVJMPXJMPPZCN-UHFFFAOYSA-N	-1	0	570.565	4.435	1	70		KIIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(c2sncc2Cl)CC1	ZINC000217728339	562877705	/nfs/dbraw/zinc/87/77/05/562877705.db2.gz	PZVJPHFFPHBHSS-UHFFFAOYSA-N	-1	0	535.072	4.331	1	70		KIIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(c2scnc2Cl)CC1	ZINC000217760704	562877696	/nfs/dbraw/zinc/87/76/96/562877696.db2.gz	MFDQUDMUBKHLAJ-UHFFFAOYSA-N	-1	0	535.072	4.331	1	70		KIIFRM
C[C@@H](CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4sc(N)nc43)cc2)CC1)C(F)(F)F	ZINC000217764531	562877783	/nfs/dbraw/zinc/87/77/83/562877783.db2.gz	TUSQRPFZKMOGAZ-AWEZNQCLSA-N	-1	0	542.605	4.235	1	70		KIIFRM
C[C@H](CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4sc(N)nc43)cc2)CC1)C(F)(F)F	ZINC000217764615	562877751	/nfs/dbraw/zinc/87/77/51/562877751.db2.gz	TUSQRPFZKMOGAZ-CQSZACIVSA-N	-1	0	542.605	4.235	1	70		KIIFRM
Nc1nc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)(CCCC(F)(F)F)CC3)cc2)s1	ZINC000217769107	562877768	/nfs/dbraw/zinc/87/77/68/562877768.db2.gz	LJLPOHABEXCGTL-UHFFFAOYSA-N	-1	0	542.605	4.379	1	70		KIIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(Cc2nc(Cl)cs2)CC1	ZINC000217788735	562877777	/nfs/dbraw/zinc/87/77/77/562877777.db2.gz	DZYBCPZGQPEFAU-UHFFFAOYSA-N	-1	0	549.099	4.417	1	70		KIIFRM
Nc1nc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)(c4cccc(F)c4F)CC3)cc2)s1	ZINC000217792084	562877796	/nfs/dbraw/zinc/87/77/96/562877796.db2.gz	AWVQSAMEACRCAR-UHFFFAOYSA-N	-1	0	544.605	4.081	1	70		KIIFRM
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(F)cc4sc(N)nc43)cc2F)CC1	ZINC000217836942	562877775	/nfs/dbraw/zinc/87/77/75/562877775.db2.gz	CBLLGXQUKJBTGE-UHFFFAOYSA-N	-1	0	560.595	4.360	1	70		KIIFRM
O=S(=O)([N-]c1ccc(-c2nc3n[nH]cc3c(OC3CCC(O)CC3)n2)cc1)c1cc(Cl)ccc1F	ZINC000217934820	562877785	/nfs/dbraw/zinc/87/77/85/562877785.db2.gz	IKBMUGXVSJZWGW-UHFFFAOYSA-N	-1	0	517.970	4.296	1	70		KIIFRM