smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000151527065	509036983	/nfs/dbraw/zinc/03/69/83/509036983.db2.gz	DRGUSVKSNOHHSU-GFCCVEGCSA-N	-2	1	374.400	2.976	10	0		FFAEML
Cc1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000151526992	509036845	/nfs/dbraw/zinc/03/68/45/509036845.db2.gz	DRGUSVKSNOHHSU-LBPRGKRZSA-N	-2	1	374.400	2.976	10	0		FFAEML
O=C([O-])c1cccc(Nc2cc(-c3cccnc3)nc(=N[N+](=O)[O-])[n-]2)c1	ZINC000073683895	526393179	/nfs/dbraw/zinc/39/31/79/526393179.db2.gz	OCXPUQIOEZEIPC-UHFFFAOYSA-N	-2	1	352.310	2.584	10	0		FFAEML
O=C([O-])c1ccc(Nc2cc(-c3cccnc3)nc(=N[N+](=O)[O-])[n-]2)cc1	ZINC000073683462	526379767	/nfs/dbraw/zinc/37/97/67/526379767.db2.gz	YKKQPRDVDJQWST-UHFFFAOYSA-N	-2	1	352.310	2.584	10	0		FFAEML
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1	ZINC000693442006	976634755	/nfs/dbraw/zinc/63/47/55/976634755.db2.gz	NIGJIUNFCNWZDH-IAQIWYKVSA-N	-2	1	358.630	2.788	10	0		FFAEML
Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)o1	ZINC000173190040	509445192	/nfs/dbraw/zinc/44/51/92/509445192.db2.gz	IRXSIFQQHGBYTF-ZDUSSCGKSA-N	-2	1	368.393	2.601	10	0		FFAEML
O=C([O-])c1cccc(Nc2cc(-c3ccncc3)nc(=N[N+](=O)[O-])[n-]2)c1	ZINC000073683892	526393559	/nfs/dbraw/zinc/39/35/59/526393559.db2.gz	WKMMVKKRCNUKBY-UHFFFAOYSA-N	-2	1	352.310	2.584	10	0		FFAEML
O=C([O-])[C@]12C[C@H]1C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C2	ZINC000712948007	977620935	/nfs/dbraw/zinc/62/09/35/977620935.db2.gz	AKFRFNTZOQCKSQ-WWILAJSPSA-N	-2	1	356.252	2.587	10	0		FFAEML
O=C([O-])c1cnc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1	ZINC000720658005	978052624	/nfs/dbraw/zinc/05/26/24/978052624.db2.gz	YKQOQEULCXUKCY-UHFFFAOYSA-N	-2	1	373.264	2.688	10	0		FFAEML
Cc1cc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000178805738	510782676	/nfs/dbraw/zinc/78/26/76/510782676.db2.gz	NOYCASFAMPFPCO-IINYFYTJSA-N	-2	1	364.405	2.701	10	0		FFAEML
CCC[C@H](C(=O)[O-])[C@H](Cc1ccc(Br)s1)c1nn[n-]n1	ZINC000584625057	518416748	/nfs/dbraw/zinc/41/67/48/518416748.db2.gz	CACJOUOJRAGLRR-IUCAKERBSA-N	-2	1	359.249	2.851	10	0		FFAEML
Nc1ccc2cc(S(=O)(=O)Oc3ccc(C(=O)[O-])cc3)cc([O-])c2c1	ZINC000035635757	506388672	/nfs/dbraw/zinc/38/86/72/506388672.db2.gz	HRFJKSZVWXPAHS-UHFFFAOYSA-N	-2	1	359.359	2.594	10	0		FFAEML
Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)o1	ZINC000173190059	509445471	/nfs/dbraw/zinc/44/54/71/509445471.db2.gz	IRXSIFQQHGBYTF-CYBMUJFWSA-N	-2	1	368.393	2.601	10	0		FFAEML
CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2[O-])n[n-]c1=S	ZINC000067119198	506762164	/nfs/dbraw/zinc/76/21/64/506762164.db2.gz	YVEWJWGKQHRWEO-UHFFFAOYSA-N	-2	1	361.254	2.945	10	0		FFAEML
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1	ZINC000070555963	507613995	/nfs/dbraw/zinc/61/39/95/507613995.db2.gz	SFIFMMZKWONRCB-NKWVEPMBSA-N	-2	1	358.268	2.977	10	0		FFAEML
Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000178805759	510783081	/nfs/dbraw/zinc/78/30/81/510783081.db2.gz	NOYCASFAMPFPCO-QMTHXVAHSA-N	-2	1	364.405	2.701	10	0		FFAEML
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1	ZINC000070555964	507614707	/nfs/dbraw/zinc/61/47/07/507614707.db2.gz	SFIFMMZKWONRCB-BQBZGAKWSA-N	-2	1	358.268	2.977	10	0		FFAEML
Cc1cccc2oc(=O)c(-c3cc([O-])c4ccc(=O)oc4c3O)c([O-])c12	ZINC000014814624	507001132	/nfs/dbraw/zinc/00/11/32/507001132.db2.gz	HYSXPHSQRZJJCF-UHFFFAOYSA-N	-2	1	352.298	2.992	10	0	biogenic,in-vitro	FFAEML
CCCCc1[nH+]cc(C=C(C(=O)[O-])C(=O)[O-])n1Cc1ccc(C(=O)[O-])cc1	ZINC000077291184	508295724	/nfs/dbraw/zinc/29/57/24/508295724.db2.gz	IGNRJIWLJYGTJZ-UHFFFAOYSA-N	-2	1	372.377	2.525	10	0	in-vitro	FFAEML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N(C)C	ZINC000032971230	506320150	/nfs/dbraw/zinc/32/01/50/506320150.db2.gz	VOMKXYDIWVVCJN-UHFFFAOYSA-N	-2	1	352.387	2.699	10	0		FFAEML
COc1ccc(C(O)=CC(CC(=O)c2ccccc2)(C(=O)[O-])C(=O)[O-])cc1	ZINC000005359038	207095356	/nfs/dbraw/zinc/09/53/56/207095356.db2.gz	LTLMTGWGHCQLLC-UHFFFAOYSA-N	-2	1	370.357	2.697	10	0		FFAEML
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1	ZINC000070555966	507614528	/nfs/dbraw/zinc/61/45/28/507614528.db2.gz	SFIFMMZKWONRCB-RQJHMYQMSA-N	-2	1	358.268	2.977	10	0		FFAEML
O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000037742530	506431359	/nfs/dbraw/zinc/43/13/59/506431359.db2.gz	NXAJJDJJODQKAL-UHFFFAOYSA-N	-2	1	356.197	2.948	10	0		FFAEML
O=C([O-])c1ccc(Nc2cc(-c3ccncc3)nc(=N[N+](=O)[O-])[n-]2)cc1	ZINC000073683459	526379738	/nfs/dbraw/zinc/37/97/38/526379738.db2.gz	HZHSDVQNROEVTJ-UHFFFAOYSA-N	-2	1	352.310	2.584	10	0		FFAEML
O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[O-]	ZINC000692454229	976488012	/nfs/dbraw/zinc/48/80/12/976488012.db2.gz	JQIIIZOOEMQSCY-UHFFFAOYSA-N	-2	1	364.195	2.882	10	0		FFAEML
Cc1cc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000178805767	510782929	/nfs/dbraw/zinc/78/29/29/510782929.db2.gz	NOYCASFAMPFPCO-YGRLFVJLSA-N	-2	1	364.405	2.701	10	0		FFAEML
COc1ccc(Oc2ccc3c(cnc(C(=O)NCC(=O)[O-])c3[O-])c2)cc1	ZINC000006716881	210231664	/nfs/dbraw/zinc/23/16/64/210231664.db2.gz	PIVSVWSBZQYGPI-UHFFFAOYSA-N	-2	1	368.345	2.556	10	0		FFAEML
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC1	ZINC000690467462	976301675	/nfs/dbraw/zinc/30/16/75/976301675.db2.gz	XWCFEFGBKBDMCK-ZETCQYMHSA-N	-2	1	358.268	2.834	10	0		FFAEML
Cc1cc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000178805750	510782340	/nfs/dbraw/zinc/78/23/40/510782340.db2.gz	NOYCASFAMPFPCO-HZMBPMFUSA-N	-2	1	364.405	2.701	10	0		FFAEML
O=C([O-])[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000715252438	977708325	/nfs/dbraw/zinc/70/83/25/977708325.db2.gz	VDNMTMASZHFWSJ-IYSWYEEDSA-N	-2	1	358.630	2.646	10	0		FFAEML
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC1	ZINC000690467460	976301609	/nfs/dbraw/zinc/30/16/09/976301609.db2.gz	XWCFEFGBKBDMCK-SSDOTTSWSA-N	-2	1	358.268	2.834	10	0		FFAEML
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)[O-])cc2)c1	ZINC000033454447	506357164	/nfs/dbraw/zinc/35/71/64/506357164.db2.gz	SSZNEZSSPXKHTK-FPLPWBNLSA-N	-2	1	374.418	2.684	10	0		FFAEML
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1	ZINC000070555965	507614588	/nfs/dbraw/zinc/61/45/88/507614588.db2.gz	SFIFMMZKWONRCB-RNFRBKRXSA-N	-2	1	358.268	2.977	10	0		FFAEML