smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C#Cc1ccc(N)cc1	ZINC000040974313	210044923	/nfs/dbraw/zinc/04/49/23/210044923.db2.gz	OMDMHRFLCPFHRB-FNAHDJPLSA-N	1	1	350.893	4.540	1	30		FJEFMO
C[N@@H+](Cc1ncc2ccccc2c1CCC#N)[C@H]1CCCc2cccnc21	ZINC000049071611	205169571	/nfs/dbraw/zinc/16/95/71/205169571.db2.gz	CEBJQBJIATWJPT-QFIPXVFZSA-N	1	1	356.473	4.595	1	30		FJEFMO
COc1ccc(C=NNc2cc(C)[nH+]c3c(C)cccc23)c2ccccc12	ZINC000035001088	211629154	/nfs/dbraw/zinc/62/91/54/211629154.db2.gz	JUTCTROMXRMPIF-ZVHZXABRSA-N	1	1	355.441	4.881	1	30		FJEFMO
CC1C[C@H]2C(=NO)[C@@H](C1)[C@H](c1ccccc1F)[NH2+][C@H]2c1ccccc1F	ZINC000195362499	222621142	/nfs/dbraw/zinc/62/11/42/222621142.db2.gz	YRNYXCFQDXEQOT-ZFTHGZBJSA-N	1	1	356.416	4.843	1	30		FJEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](c1cncs1)c1ccc(Cl)cc1)C2	ZINC000058523707	205275457	/nfs/dbraw/zinc/27/54/57/205275457.db2.gz	LBCZPMBIRHJUNY-SOLBZPMBSA-N	1	1	361.898	4.515	1	30		FJEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](c1nccs1)c1ccc(Cl)cc1)C2	ZINC000058538022	205277771	/nfs/dbraw/zinc/27/77/71/205277771.db2.gz	BHEIRLORGGZQHZ-IXDOHACOSA-N	1	1	361.898	4.515	1	30		FJEFMO
C=CC[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2cccc(Cl)c2)C1	ZINC000027109199	210161501	/nfs/dbraw/zinc/16/15/01/210161501.db2.gz	LTRCERARFPTVSG-INIZCTEOSA-N	1	1	364.272	4.581	1	30		FJEFMO
C=CC[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2cccc(Cl)c2)C1	ZINC000027109199	210161505	/nfs/dbraw/zinc/16/15/05/210161505.db2.gz	LTRCERARFPTVSG-INIZCTEOSA-N	1	1	364.272	4.581	1	30		FJEFMO
COc1ccc2cc(C=NNc3cc[nH+]c4cc(OC)ccc34)ccc2c1	ZINC000042964870	205099812	/nfs/dbraw/zinc/09/98/12/205099812.db2.gz	WLNPDRNFRDULLR-ZVHZXABRSA-N	1	1	357.413	4.851	1	30		FJEFMO
C[N@H+]1CC[C@H](N(Cc2ccc(Cl)cc2)c2ccc(C#N)c(Cl)c2)C1	ZINC000043013138	205100230	/nfs/dbraw/zinc/10/02/30/205100230.db2.gz	AIGXJDUFDDOCJM-SFHVURJKSA-N	1	1	360.288	4.576	1	30		FJEFMO
COc1ccc2ccccc2c1C=NNc1cc(C)[nH+]c2c(C)cccc12	ZINC000048308910	205156437	/nfs/dbraw/zinc/15/64/37/205156437.db2.gz	FSFICSKLLHVHHY-OYKKKHCWSA-N	1	1	355.441	4.881	1	30		FJEFMO
CCCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(CC)cc2)cc1	ZINC000003050118	204075602	/nfs/dbraw/zinc/07/56/02/204075602.db2.gz	DDSILRGIRJHNMK-CJLVFECKSA-N	1	1	368.550	4.806	1	30		FJEFMO
Cc1ccc(C#N)c(Nc2ccc3oc(CC[N@@H+]4CCC[C@H]4C)cc3c2)n1	ZINC000013674385	220083335	/nfs/dbraw/zinc/08/33/35/220083335.db2.gz	ZSLMOYVTOZQGFI-MRXNPFEDSA-N	1	1	360.461	4.778	1	30		FJEFMO
CCCCCCCCCCc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1	ZINC000043450425	534984004	/nfs/dbraw/zinc/98/40/04/534984004.db2.gz	PHUIWGMGVRLGCA-UHFFFAOYSA-N	1	1	357.546	4.555	1	30		FJEFMO
C=CC[N@H+](C)[C@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1	ZINC000028240205	210163760	/nfs/dbraw/zinc/16/37/60/210163760.db2.gz	WMNHJFGQTFDAOJ-IRXDYDNUSA-N	1	1	355.309	4.775	1	30		FJEFMO
C=CC[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2cccc(Cl)c2)C1	ZINC000027109196	210161723	/nfs/dbraw/zinc/16/17/23/210161723.db2.gz	LTRCERARFPTVSG-MRXNPFEDSA-N	1	1	364.272	4.581	1	30		FJEFMO
C=CC[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2cccc(Cl)c2)C1	ZINC000027109196	210161724	/nfs/dbraw/zinc/16/17/24/210161724.db2.gz	LTRCERARFPTVSG-MRXNPFEDSA-N	1	1	364.272	4.581	1	30		FJEFMO
C[N@H+]1CC[C@H](Cc2ccccc2)C[C@@H]1CCc1c[nH]c2ccc(C#N)cc12	ZINC000045387653	205122355	/nfs/dbraw/zinc/12/23/55/205122355.db2.gz	GTDYZBITFFAPGO-KNQAVFIVSA-N	1	1	357.501	4.925	1	30		FJEFMO
Cc1nc(C)c(-c2ccc3cc(CC[N@@H+]4CCC[C@H]4C)ccc3n2)cc1C#N	ZINC000049046928	205168889	/nfs/dbraw/zinc/16/88/89/205168889.db2.gz	ABCLYDOXFRWKNB-MRXNPFEDSA-N	1	1	370.500	4.812	1	30		FJEFMO
NC(=[NH2+])NN=Cc1c2ccc(Cl)cc2c(Cl)c2ccc(Cl)cc12	ZINC000064573982	205300418	/nfs/dbraw/zinc/30/04/18/205300418.db2.gz	AGWJXINGCCWVFN-HOEBFWFUSA-N	1	1	365.651	4.770	1	30		FJEFMO
C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000101061014	222260276	/nfs/dbraw/zinc/26/02/76/222260276.db2.gz	YLOMMHJWKYDOFW-KOUNCHBCSA-N	1	1	368.471	4.825	1	30		FJEFMO
CCC[N@@H+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21	ZINC000103245858	222328108	/nfs/dbraw/zinc/32/81/08/222328108.db2.gz	UKNINZMNBQHDAV-JOCHJYFZSA-N	1	1	352.453	4.593	1	30		FJEFMO
NC(=[NH2+])NN=Cc1c2ccc(Cl)cc2c(Cl)c2ccc(Cl)cc12	ZINC000045193661	208327294	/nfs/dbraw/zinc/32/72/94/208327294.db2.gz	AGWJXINGCCWVFN-QPJQQBGISA-N	1	1	365.651	4.770	1	30		FJEFMO
CCCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(CC)cc2)cc1	ZINC000003050324	521616446	/nfs/dbraw/zinc/61/64/46/521616446.db2.gz	OUWQODZCUXPMBP-CJLVFECKSA-N	1	1	368.550	4.806	1	30		FJEFMO
CCC[N@@H+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21	ZINC000103245855	209248972	/nfs/dbraw/zinc/24/89/72/209248972.db2.gz	UKNINZMNBQHDAV-QFIPXVFZSA-N	1	1	352.453	4.593	1	30		FJEFMO
CN(C)[C@@H]1CC[N@@H+](CCc2ccc3cc(-c4ccc(C#N)cc4)ccc3c2)C1	ZINC000028901288	220588028	/nfs/dbraw/zinc/58/80/28/220588028.db2.gz	OSFQTGQOBLQGDK-RUZDIDTESA-N	1	1	369.512	4.557	1	30		FJEFMO
C[NH+](C)[C@@H]1CCN(CCc2ccc3cc(-c4ccc(C#N)cc4)ccc3c2)C1	ZINC000028901288	220588033	/nfs/dbraw/zinc/58/80/33/220588033.db2.gz	OSFQTGQOBLQGDK-RUZDIDTESA-N	1	1	369.512	4.557	1	30		FJEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NO[C@H](c1cscn1)c1ccc(Cl)cc1)C2	ZINC000049035674	221017709	/nfs/dbraw/zinc/01/77/09/221017709.db2.gz	JXNKYTWWZIJDKE-JZXOWHBKSA-N	1	1	361.898	4.515	1	30		FJEFMO
CCCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2)cc1	ZINC000003050623	521616045	/nfs/dbraw/zinc/61/60/45/521616045.db2.gz	JSQKHGJAUYMMFU-RCCKNPSSSA-N	1	1	354.523	4.552	1	30		FJEFMO
C[N@H+]1CC[C@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)C1	ZINC000043019667	208301458	/nfs/dbraw/zinc/30/14/58/208301458.db2.gz	KSWQEVARQFALSR-KRWDZBQOSA-N	1	1	360.288	4.576	1	30		FJEFMO
CC[C@@H]1/C(=N/OC(=O)OC)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000096906546	222138231	/nfs/dbraw/zinc/13/82/31/222138231.db2.gz	FFQSWSIEINCATO-MUZZXBDVSA-N	1	1	366.461	4.970	1	30		FJEFMO