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(c1c([O-])cnc2ccccc21)N1CCC(Cn2ccnn2)CC1	ZINC000159480646	463288929	/nfs/dbraw/zinc/28/89/29/463288929.db2.gz	ZYWSUSQNNGHYBX-UHFFFAOYSA-N	-1	1	337.383	2.084	10	70		EEIEMM
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)o1	ZINC000159694086	463299680	/nfs/dbraw/zinc/29/96/80/463299680.db2.gz	MTIIACMBICWMRJ-LBPRGKRZSA-N	-1	1	337.397	2.457	10	70		EEIEMM
Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1	ZINC000159688025	225259709	/nfs/dbraw/zinc/25/97/09/225259709.db2.gz	UQQJLHZXTUODCQ-NSHDSACASA-N	-1	1	327.837	2.464	10	70		EEIEMM
Cc1ccc2c([O-])c(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)cnc2n1	ZINC000159384590	463282638	/nfs/dbraw/zinc/28/26/38/463282638.db2.gz	DBRBSTZHKXVNQG-WFASDCNBSA-N	-1	1	327.384	2.331	10	70		EEIEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCO[C@H](C3CC3)C1)c2=O	ZINC000159384590	463282640	/nfs/dbraw/zinc/28/26/40/463282640.db2.gz	DBRBSTZHKXVNQG-WFASDCNBSA-N	-1	1	327.384	2.331	10	70		EEIEMM
CS(=O)(=O)c1csc(C(=O)[N-]c2nnc(C3CC3)s2)c1	ZINC000161037980	311361301	/nfs/dbraw/zinc/36/13/01/311361301.db2.gz	VBSLYSUFWRSIGI-UHFFFAOYSA-N	-1	1	329.428	2.133	10	70		EEIEMM
Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc(Cl)c1=O	ZINC000160253375	311351813	/nfs/dbraw/zinc/35/18/13/311351813.db2.gz	PVEWVAGFLYZIHA-UHFFFAOYSA-N	-1	1	334.731	2.118	10	70		EEIEMM
Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1	ZINC000159688157	225260694	/nfs/dbraw/zinc/26/06/94/225260694.db2.gz	UQQJLHZXTUODCQ-LLVKDONJSA-N	-1	1	327.837	2.464	10	70		EEIEMM
Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)cnc2n1	ZINC000159384456	463283348	/nfs/dbraw/zinc/28/33/48/463283348.db2.gz	DBRBSTZHKXVNQG-DOMZBBRYSA-N	-1	1	327.384	2.331	10	70		EEIEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCO[C@H](C3CC3)C1)c2=O	ZINC000159384456	463283350	/nfs/dbraw/zinc/28/33/50/463283350.db2.gz	DBRBSTZHKXVNQG-DOMZBBRYSA-N	-1	1	327.384	2.331	10	70		EEIEMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)[nH]n1	ZINC000159960055	529017446	/nfs/dbraw/zinc/01/74/46/529017446.db2.gz	VSTGVOBSXVMCON-UHFFFAOYSA-N	-1	1	337.401	2.340	10	70		EEIEMM
O=C(NCC1(CCO)CCC1)c1ccc(Br)c([O-])c1	ZINC000160151180	311350490	/nfs/dbraw/zinc/35/04/90/311350490.db2.gz	ASYLCTGLJGYMDD-UHFFFAOYSA-N	-1	1	328.206	2.437	10	70		EEIEMM
CCCCc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)[nH]n1	ZINC000159935846	529016825	/nfs/dbraw/zinc/01/68/25/529016825.db2.gz	BEILRLRXYYPIEB-UHFFFAOYSA-N	-1	1	331.829	2.248	10	70		EEIEMM
CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)ccc1F	ZINC000161289935	463416990	/nfs/dbraw/zinc/41/69/90/463416990.db2.gz	TVCVEORLODXCGA-UHFFFAOYSA-N	-1	1	342.323	2.430	10	70		EEIEMM
Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)cnc2n1	ZINC000159384726	463282619	/nfs/dbraw/zinc/28/26/19/463282619.db2.gz	DBRBSTZHKXVNQG-IUODEOHRSA-N	-1	1	327.384	2.331	10	70		EEIEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)c2=O	ZINC000159384726	463282623	/nfs/dbraw/zinc/28/26/23/463282623.db2.gz	DBRBSTZHKXVNQG-IUODEOHRSA-N	-1	1	327.384	2.331	10	70		EEIEMM
O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1cc2ccccc2o1	ZINC000161055091	311361392	/nfs/dbraw/zinc/36/13/92/311361392.db2.gz	MLXBRHJAIOKGIM-HNNXBMFYSA-N	-1	1	331.393	2.315	10	70		EEIEMM
O=c1[nH]c(CSCC[NH+]2CCOCC2)nc2c3ccccc3oc21	ZINC000159971793	311348335	/nfs/dbraw/zinc/34/83/35/311348335.db2.gz	VGJWRDOTMVJJNO-UHFFFAOYSA-N	-1	1	345.424	2.235	10	70		EEIEMM
Cc1ccc2c([O-])c(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)cnc2n1	ZINC000159384853	463283364	/nfs/dbraw/zinc/28/33/64/463283364.db2.gz	DBRBSTZHKXVNQG-SWLSCSKDSA-N	-1	1	327.384	2.331	10	70		EEIEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCO[C@@H](C3CC3)C1)c2=O	ZINC000159384853	463283368	/nfs/dbraw/zinc/28/33/68/463283368.db2.gz	DBRBSTZHKXVNQG-SWLSCSKDSA-N	-1	1	327.384	2.331	10	70		EEIEMM
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)o1	ZINC000159694203	463299976	/nfs/dbraw/zinc/29/99/76/463299976.db2.gz	MTIIACMBICWMRJ-GFCCVEGCSA-N	-1	1	337.397	2.457	10	70		EEIEMM