smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CC[NH+]([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1	ZINC000020192766	211271371	/nfs/dbraw/zinc/27/13/71/211271371.db2.gz	HZXZLKAAPIPTGN-FQEVSTJZSA-N	1	1	367.880	4.810	40	10		FJCBMO
c1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(N3CCCC3)cc2)n1	ZINC000019334660	211216916	/nfs/dbraw/zinc/21/69/16/211216916.db2.gz	GDWGGVBHIZRXHD-IBGZPJMESA-N	1	1	369.559	4.878	40	10		FJCBMO
c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(N3CCCC3)cc2)n1	ZINC000019334664	211216648	/nfs/dbraw/zinc/21/66/48/211216648.db2.gz	GDWGGVBHIZRXHD-LJQANCHMSA-N	1	1	369.559	4.878	40	10		FJCBMO
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3nccc(OC)n3)c2c1	ZINC000005495367	570628197	/nfs/dbraw/zinc/62/81/97/570628197.db2.gz	FAPCVKGZOXQPKW-UHFFFAOYSA-N	1	1	366.808	4.592	40	10		FJCBMO
CN(C)c1ccc(C[N@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1	ZINC000035442903	204282435	/nfs/dbraw/zinc/28/24/35/204282435.db2.gz	UKEBYRCTXKAKCX-HNNXBMFYSA-N	1	1	355.869	4.537	40	10	biogenic,in-vitro	FJCBMO
Cc1ccc(O)c(C[N@@H+](CCCn2ccnc2)Cc2ccccc2Cl)c1	ZINC000036740303	571081535	/nfs/dbraw/zinc/08/15/35/571081535.db2.gz	XLXKJUKXTFHLCY-UHFFFAOYSA-N	1	1	369.896	4.643	40	10		FJCBMO
CC[NH+](CC)Cc1cc(Nc2ccnc3ccc(OC)cc32)ccc1O	ZINC000001729641	210368464	/nfs/dbraw/zinc/36/84/64/210368464.db2.gz	GDEWTNPUQPVYHV-UHFFFAOYSA-N	1	1	351.450	4.534	40	10		FJCBMO
CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(Br)cc2)cc1	ZINC000001700099	204017478	/nfs/dbraw/zinc/01/74/78/204017478.db2.gz	KKWVWDOPQUNOJR-UHFFFAOYSA-N	1	1	361.327	4.927	40	10		FJCBMO
Cc1cc[nH+]c(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	ZINC000001463224	571198024	/nfs/dbraw/zinc/19/80/24/571198024.db2.gz	DNFFYAHWCDVOJP-HXUWFJFHSA-N	1	1	359.404	4.984	40	10		FJCBMO
CC1CC[NH+]([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1	ZINC000020192763	571059734	/nfs/dbraw/zinc/05/97/34/571059734.db2.gz	HZXZLKAAPIPTGN-HXUWFJFHSA-N	1	1	367.880	4.810	40	10		FJCBMO
Oc1c([C@@H](c2ccccn2)[NH+]2CCCCC2)cc(Cl)c2cccnc12	ZINC000021673417	571179820	/nfs/dbraw/zinc/17/98/20/571179820.db2.gz	UUKXQRCKOJRJOL-IBGZPJMESA-N	1	1	353.853	4.564	40	10		FJCBMO
Cc1cc[nH+]c(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	ZINC000001463223	571198112	/nfs/dbraw/zinc/19/81/12/571198112.db2.gz	DNFFYAHWCDVOJP-FQEVSTJZSA-N	1	1	359.404	4.984	40	10		FJCBMO
Cc1ccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)[nH+]c1	ZINC000045944409	208342857	/nfs/dbraw/zinc/34/28/57/208342857.db2.gz	UKEVIZGSJSQUGB-HXUWFJFHSA-N	1	1	356.429	4.549	40	10		FJCBMO
Oc1c([C@H](c2ccccn2)[NH+]2CCCCC2)cc(Cl)c2cccnc12	ZINC000021673413	220362535	/nfs/dbraw/zinc/36/25/35/220362535.db2.gz	UUKXQRCKOJRJOL-LJQANCHMSA-N	1	1	353.853	4.564	40	10		FJCBMO
Cc1ccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)[nH+]c1	ZINC000045944407	571054447	/nfs/dbraw/zinc/05/44/47/571054447.db2.gz	UKEVIZGSJSQUGB-FQEVSTJZSA-N	1	1	356.429	4.549	40	10		FJCBMO