smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Oc2ccc(-c3ccn(CCC(C)C)c(=O)c3C#N)cc2)c(C)[nH+]1	ZINC000084670282	208095840	/nfs/dbraw/zinc/09/58/40/208095840.db2.gz	UOBHJFUATAHTKA-UHFFFAOYSA-N	1	2	387.483	5.237	1	30		GKEFLO
CCCCCCCC[N@@H+]1CCc2c(c3cc(Br)ccc3n2C)C1	ZINC000071332340	222181605	/nfs/dbraw/zinc/18/16/05/222181605.db2.gz	SOEVEYPBDDOPNL-UHFFFAOYSA-N	1	2	377.370	5.659	1	30		GKEFLO
CCCCCCCC[N@H+]1CCc2c(c3cc(Br)ccc3n2C)C1	ZINC000071332340	222181608	/nfs/dbraw/zinc/18/16/08/222181608.db2.gz	SOEVEYPBDDOPNL-UHFFFAOYSA-N	1	2	377.370	5.659	1	30		GKEFLO
Cc1ccccc1-c1cc(N(Cc2c[nH+]c[nH]2)Cc2ccccc2)ccc1C#N	ZINC000028769589	581092634	/nfs/dbraw/zinc/09/26/34/581092634.db2.gz	FQZKZXLGKXKOQT-UHFFFAOYSA-N	1	2	378.479	5.464	1	30		GKEFLO
Cc1ccccc1-c1cc(N(Cc2c[nH]c[nH+]2)Cc2ccccc2)ccc1C#N	ZINC000028769589	581092635	/nfs/dbraw/zinc/09/26/35/581092635.db2.gz	FQZKZXLGKXKOQT-UHFFFAOYSA-N	1	2	378.479	5.464	1	30		GKEFLO
C[C@@H](c1[nH+]ccn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1	ZINC000043120194	581097784	/nfs/dbraw/zinc/09/77/84/581097784.db2.gz	XHUDHUJYLCGFAN-AWEZNQCLSA-N	1	2	385.298	5.366	1	30		GKEFLO
CC(C)(C)N=C(Nc1nccs1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12	ZINC000029568982	209243529	/nfs/dbraw/zinc/24/35/29/209243529.db2.gz	LNUOFVZLKNKSRF-UHFFFAOYSA-N	1	2	393.438	5.198	1	30		GKEFLO
C(#C[NH+]1CCN(c2ccccc2)CC1)CN1c2ccccc2Sc2ccccc21	ZINC000040913423	212040340	/nfs/dbraw/zinc/04/03/40/212040340.db2.gz	HMIZZTAPVLQJLP-UHFFFAOYSA-N	1	2	397.547	5.072	1	30		GKEFLO
CCCCCCCCCCCC1=[NH+]/C(=C\c2[nH]c(-n3cncn3)cc2OC)C=C1	ZINC000043279093	205083398	/nfs/dbraw/zinc/08/33/98/205083398.db2.gz	RBGSXCHLVXFZPE-HKWRFOASSA-N	1	2	395.551	5.877	1	30		GKEFLO
CC(C)(C)O/[NH+]=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c43)c(F)c21	ZINC000071318905	205281205	/nfs/dbraw/zinc/28/12/05/205281205.db2.gz	WAFODAVLOMGAPN-OGLMXYFKSA-N	1	2	397.469	6.227	1	30		GKEFLO
N#Cc1ccc2[nH+]c(Nc3ccc(Oc4ncccc4C(F)(F)F)cc3)[nH]c2c1	ZINC000084671611	211173081	/nfs/dbraw/zinc/17/30/81/211173081.db2.gz	GAHCTGQCJXQYNK-UHFFFAOYSA-N	1	2	395.344	5.384	1	30	in-vitro	GKEFLO
CC(C)n1cc[nH+]c1NC(=NCC(C)(C)C)Nc1ccc(Cl)c(Cl)c1	ZINC000072118149	222207318	/nfs/dbraw/zinc/20/73/18/222207318.db2.gz	CAIXMJZPWIWOKN-UHFFFAOYSA-N	1	2	382.339	5.506	1	30		GKEFLO
CCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(N)cc2)[NH2+]1	ZINC000084375199	208088294	/nfs/dbraw/zinc/08/82/94/208088294.db2.gz	VXUHWEDQPUIZBU-RBBKRZOGSA-N	1	2	391.625	5.010	1	30		GKEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1OCCc1ccc(-c2ccccc2)cc1	ZINC000028256420	581101018	/nfs/dbraw/zinc/10/10/18/581101018.db2.gz	ZMHFYICSWNADEI-UHFFFAOYSA-N	1	2	379.463	5.092	1	30		GKEFLO
C=CCc1cc(/C=[NH+]/C2CCCCC2)c(O)c(-c2ccc(O)c(CC=C)c2)c1	ZINC000043063021	205082616	/nfs/dbraw/zinc/08/26/16/205082616.db2.gz	LBMNWZJTXKBQSD-YZSQISJMSA-N	1	2	375.512	5.973	1	30		GKEFLO
CCCCCCCCCCCCC/C=C1/CCC[C@@H]2[C@H]1[N@@H+]2Cc1ccccc1	ZINC000044138201	210809552	/nfs/dbraw/zinc/80/95/52/210809552.db2.gz	RUCDWMJXGOHTDZ-OITHXNHYSA-N	1	2	381.648	8.051	1	30		GKEFLO
CCCCCCCCCCCCC/C=C1/CCC[C@@H]2[C@H]1[N@H+]2Cc1ccccc1	ZINC000044138201	210809555	/nfs/dbraw/zinc/80/95/55/210809555.db2.gz	RUCDWMJXGOHTDZ-OITHXNHYSA-N	1	2	381.648	8.051	1	30		GKEFLO
CCCCCCCCCCC1=[NH+]/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OC)C=C1	ZINC000043285078	207631831	/nfs/dbraw/zinc/63/18/31/207631831.db2.gz	AWLKTVZPWZTHCN-JZJYNLBNSA-N	1	2	379.548	6.901	1	30		GKEFLO
Cc1c[nH]c2c1cccc2-c1c(F)cc2c(c1F)/C(=[NH+]/OC(C)C)CC(C)(C)N2	ZINC000071317430	211046007	/nfs/dbraw/zinc/04/60/07/211046007.db2.gz	NLDACKJWSTTYSC-MTDXEUNCSA-N	1	2	397.469	6.145	1	30		GKEFLO
Cc1ccc2[nH+]c(-c3ccc(C#N)cc3)c(Cc3ccccc3C(F)(F)F)n2c1	ZINC000072141166	222211357	/nfs/dbraw/zinc/21/13/57/222211357.db2.gz	FCNSCLIGNAWYHS-UHFFFAOYSA-N	1	2	391.396	5.791	3	30		GKEFLO
CCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(N)cc2)[NH2+]1	ZINC000084375200	205394735	/nfs/dbraw/zinc/39/47/35/205394735.db2.gz	VXUHWEDQPUIZBU-UNMCSNQZSA-N	1	2	391.625	5.010	1	30		GKEFLO
C=CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@H](C)/C(=N/O)C[C@H]1c1ccc(Cl)cc1	ZINC000095573797	222356396	/nfs/dbraw/zinc/35/63/96/222356396.db2.gz	GBHOPUBPDUOXEU-QTZOHWOPSA-N	1	2	389.326	6.134	1	30		GKEFLO
C=CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@H](C)/C(=N/O)C[C@H]1c1ccc(Cl)cc1	ZINC000095573797	222356398	/nfs/dbraw/zinc/35/63/98/222356398.db2.gz	GBHOPUBPDUOXEU-QTZOHWOPSA-N	1	2	389.326	6.134	1	30		GKEFLO
C=CC(C)(C)[C@@]12CC[N@@H+](C)[C@@H]1N(CC=C(C)C)c1cc(Br)ccc12	ZINC000032296420	560089317	/nfs/dbraw/zinc/08/93/17/560089317.db2.gz	AJYIZQUARKFPEC-TZIWHRDSSA-N	1	2	389.381	5.347	1	30	biogenic,in-vitro	GKEFLO
C=CC(C)(C)[C@@]12CC[N@H+](C)[C@@H]1N(CC=C(C)C)c1cc(Br)ccc12	ZINC000032296420	560089319	/nfs/dbraw/zinc/08/93/19/560089319.db2.gz	AJYIZQUARKFPEC-TZIWHRDSSA-N	1	2	389.381	5.347	1	30	biogenic,in-vitro	GKEFLO
C[C@H](c1[nH+]ccn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1	ZINC000043120195	581097805	/nfs/dbraw/zinc/09/78/05/581097805.db2.gz	XHUDHUJYLCGFAN-CQSZACIVSA-N	1	2	385.298	5.366	1	30		GKEFLO