smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=NNc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000032601798	202229457	/nfs/dbraw/zinc/22/94/57/202229457.db2.gz	DVHZBLUWFREWQV-JMIUGGIZSA-N	1	2	327.771	4.048	1	30		EIEFLO
Cc1cccc2c1CC[C@@H](Cn1cc[nH+]c1)/C2=N/OCc1ccccc1	ZINC000101623163	204014978	/nfs/dbraw/zinc/01/49/78/204014978.db2.gz	OFFXBJHZOUXSKB-COPMAWBXSA-N	1	2	345.446	4.375	1	30		EIEFLO
CC(C)(C)n1cc[nH+]c1NC(=N)Nc1ccc(Cl)c(Cl)c1	ZINC000072118055	203164206	/nfs/dbraw/zinc/16/42/06/203164206.db2.gz	OZSUMLITJGOBMI-UHFFFAOYSA-N	1	2	326.231	4.003	1	30		EIEFLO
CC(C)n1ccnc1/C=C1\CCC/C(=C\c2[nH+]ccn2C(C)C)C1=O	ZINC000103250918	204069555	/nfs/dbraw/zinc/06/95/55/204069555.db2.gz	JUIABWMODLCYBS-UNZYHPAISA-N	1	2	338.455	4.461	1	30		EIEFLO
COc1ccc2[nH+]ccc(NN=Cc3ccc4ccccc4n3)c2c1	ZINC000029135340	202181674	/nfs/dbraw/zinc/18/16/74/202181674.db2.gz	XJQJVRDAKGHXRC-LPYMAVHISA-N	1	2	328.375	4.238	1	30		EIEFLO
Cc1cn(/C(=N\O)c2cccnc2Oc2ccc(C(C)C)cc2)c[nH+]1	ZINC000072182171	203182926	/nfs/dbraw/zinc/18/29/26/203182926.db2.gz	FNJWRYPRWVKYQH-PYCFMQQDSA-N	1	2	336.395	4.186	1	30		EIEFLO
CC(C)N=C1NC(=[NH+]CCc2ccc(Cl)cc2)c2ccccc21	ZINC000026672383	202146350	/nfs/dbraw/zinc/14/63/50/202146350.db2.gz	GNARPECAOHHEJG-UHFFFAOYSA-N	1	2	325.843	4.088	1	30		EIEFLO
CC(C)[NH+]=C1NC(=NCCc2ccc(Cl)cc2)c2ccccc21	ZINC000026672383	202146352	/nfs/dbraw/zinc/14/63/52/202146352.db2.gz	GNARPECAOHHEJG-UHFFFAOYSA-N	1	2	325.843	4.088	1	30		EIEFLO
C#Cc1cccc(Nc2[nH+]cnc3[nH]c(CCc4ccccc4)cc32)c1	ZINC000049116534	213989401	/nfs/dbraw/zinc/98/94/01/213989401.db2.gz	RUBUJOVRIQWQIZ-UHFFFAOYSA-N	1	2	338.414	4.468	1	30		EIEFLO
Cc1cccc2c1CC[C@H](Cn1cc[nH+]c1)/C2=N/OCc1ccccc1	ZINC000101623160	219146911	/nfs/dbraw/zinc/14/69/11/219146911.db2.gz	OFFXBJHZOUXSKB-MAVBTGMRSA-N	1	2	345.446	4.375	1	30		EIEFLO
c1cn(C[C@H]2CCc3ccccc3/C2=N\OCc2ccccc2)c[nH+]1	ZINC000040833610	213391448	/nfs/dbraw/zinc/39/14/48/213391448.db2.gz	CRSHMBRRKPORJL-HVSLCEISSA-N	1	2	331.419	4.067	1	30		EIEFLO
Cc1ccc(NC(=O)CN2C[C@H](C)S/C2=[NH+]\C2CCCCC2)cc1	ZINC000101898768	219171486	/nfs/dbraw/zinc/17/14/86/219171486.db2.gz	KLTCGYLHXHCJLK-AYAKEVCGSA-N	1	2	345.512	4.060	3	30		EIEFLO
COc1ccc(O)cc1C=NNc1cc[nH+]c2cc(Cl)ccc12	ZINC000045168150	213711837	/nfs/dbraw/zinc/71/18/37/213711837.db2.gz	GESPVMXAWRWOGS-KEBDBYFISA-N	1	2	327.771	4.048	1	30		EIEFLO
COc1ccc(-c2oc3ccccc3c2C#Cc2c[nH+]cn2C)cc1	ZINC000036388952	213093341	/nfs/dbraw/zinc/09/33/41/213093341.db2.gz	VBAYVERGSIAOKB-UHFFFAOYSA-N	1	2	328.371	4.242	3	30		EIEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1OCCCCc1ccccc1	ZINC000028251205	581101090	/nfs/dbraw/zinc/10/10/90/581101090.db2.gz	SUXXIEYIKBWNGK-UHFFFAOYSA-N	1	2	331.419	4.205	1	30		EIEFLO
Cc1cc(NN=Cc2ccc3c(c2)OCO3)c2ccc(Cl)cc2[nH+]1	ZINC000049803036	214033263	/nfs/dbraw/zinc/03/32/63/214033263.db2.gz	XGYJCEMKGMDSKH-AWQFTUOYSA-N	1	2	339.782	4.371	1	30		EIEFLO
N#CCC[N@@H+](Cc1coc(-c2ccc(O)cc2)n1)C1CCCCC1	ZINC000072185791	216067373	/nfs/dbraw/zinc/06/73/73/216067373.db2.gz	GFQLKPAILNFRSV-UHFFFAOYSA-N	1	2	325.412	4.096	1	30		EIEFLO
N#CCC[N@H+](Cc1coc(-c2ccc(O)cc2)n1)C1CCCCC1	ZINC000072185791	216067376	/nfs/dbraw/zinc/06/73/76/216067376.db2.gz	GFQLKPAILNFRSV-UHFFFAOYSA-N	1	2	325.412	4.096	1	30		EIEFLO
O/N=C1\C[C@@H](c2ccco2)[NH2+][C@H](c2ccco2)[C@@H]1Cc1ccccc1	ZINC000028711831	212632753	/nfs/dbraw/zinc/63/27/53/212632753.db2.gz	JKLQFUVSERRALE-DLCHWHMVSA-N	1	2	336.391	4.337	1	30		EIEFLO
c1cn(C[C@@H]2CCc3ccccc3/C2=N\OCc2ccccc2)c[nH+]1	ZINC000040833612	213391195	/nfs/dbraw/zinc/39/11/95/213391195.db2.gz	CRSHMBRRKPORJL-XHEFNCKESA-N	1	2	331.419	4.067	1	30		EIEFLO
CC(C)(C)c1ccc(Sc2c(C#N)ccc3[nH+]c(N)nc(N)c32)cc1	ZINC000005881983	210552935	/nfs/dbraw/zinc/55/29/35/210552935.db2.gz	BLDMXLOPWFCNKJ-UHFFFAOYSA-N	1	2	349.463	4.115	1	30		EIEFLO
Cc1ccc(NC(=O)CN2C[C@@H](C)S/C2=[NH+]\C2CCCCC2)cc1	ZINC000101898774	219171558	/nfs/dbraw/zinc/17/15/58/219171558.db2.gz	KLTCGYLHXHCJLK-DSGGYQJVSA-N	1	2	345.512	4.060	3	30		EIEFLO
Fc1cccc2c1CC[C@H](Cn1cc[nH+]c1)/C2=N/OCc1ccccc1	ZINC000040917975	213401193	/nfs/dbraw/zinc/40/11/93/213401193.db2.gz	UQIFMBVDDHKBKB-PJXFJRINSA-N	1	2	349.409	4.206	1	30		EIEFLO
c1cn(-c2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)c[nH+]1	ZINC000019632014	212051370	/nfs/dbraw/zinc/05/13/70/212051370.db2.gz	FGMXRNKADDMQQZ-CIAFOILYSA-N	1	2	345.431	4.442	1	30		EIEFLO