smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)C1=CC(N2CCCCC2)(C(C)(C)C)C=C(C(C)(C)C)C1=O	ZINC000001579535	563393929	/nfs/dbraw/zinc/39/39/29/563393929.db2.gz	DSXMQJGMZCPDOM-UHFFFAOYSA-N	0	3	345.571	5.785	40	30		EKEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000001727173	520291629	/nfs/dbraw/zinc/29/16/29/520291629.db2.gz	CPWGZKHMPCLWFI-GDXASINISA-N	0	3	342.310	5.334	40	30		EKEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000001727175	520310853	/nfs/dbraw/zinc/31/08/53/520310853.db2.gz	CPWGZKHMPCLWFI-SLZMIMFISA-N	0	3	342.310	5.334	40	30		EKEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000001727177	520290844	/nfs/dbraw/zinc/29/08/44/520290844.db2.gz	QIXYIBIIMNDKCW-GDXASINISA-N	0	3	342.310	5.334	40	30		EKEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000001727179	520310748	/nfs/dbraw/zinc/31/07/48/520310748.db2.gz	QIXYIBIIMNDKCW-SLZMIMFISA-N	0	3	342.310	5.334	40	30		EKEBHN
CC(C)(C)N[C@H](c1ccccc1)C1=CC(C)(C)c2ccccc2C1=O	ZINC000001754609	563409887	/nfs/dbraw/zinc/40/98/87/563409887.db2.gz	UAZPYFWXSMGWHR-HXUWFJFHSA-N	0	3	333.475	5.216	40	30		EKEBHN
O=C1c2ccccc2C2=C1C(c1ccco1)Sc1ccccc1N2	ZINC000002200560	564013302	/nfs/dbraw/zinc/01/33/02/564013302.db2.gz	BWNPKMKDYBUTPV-HXUWFJFHSA-N	0	3	331.396	5.146	40	30		EKEBHN
O=C1c2ccccc2C2=C1C(c1ccco1)Sc1ccccc1N2	ZINC000002200562	564013315	/nfs/dbraw/zinc/01/33/15/564013315.db2.gz	BWNPKMKDYBUTPV-FQEVSTJZSA-N	0	3	331.396	5.146	40	30		EKEBHN
C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C(C)C	ZINC000004176918	210139337	/nfs/dbraw/zinc/13/93/37/210139337.db2.gz	SABFVQHSNHWNOI-GSPCLOLRSA-N	0	3	335.491	5.042	40	30		EKEBHN
C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C(C)C	ZINC000004176927	210140065	/nfs/dbraw/zinc/14/00/65/210140065.db2.gz	SABFVQHSNHWNOI-CWBXHPNXSA-N	0	3	335.491	5.042	40	30		EKEBHN
C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C(C)C	ZINC000004176935	210139810	/nfs/dbraw/zinc/13/98/10/210139810.db2.gz	SABFVQHSNHWNOI-WBADGQHESA-N	0	3	335.491	5.042	40	30		EKEBHN
C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C(C)C	ZINC000004176941	210139947	/nfs/dbraw/zinc/13/99/47/210139947.db2.gz	SABFVQHSNHWNOI-MYDTUXCISA-N	0	3	335.491	5.042	40	30		EKEBHN
C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC	ZINC000004426724	210192344	/nfs/dbraw/zinc/19/23/44/210192344.db2.gz	SBRJFDJPIAPOCA-WZYRSQIMSA-N	0	3	335.491	5.186	40	30		EKEBHN
C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CC	ZINC000004426726	210192509	/nfs/dbraw/zinc/19/25/09/210192509.db2.gz	SBRJFDJPIAPOCA-CWBXHPNXSA-N	0	3	335.491	5.186	40	30		EKEBHN
C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC	ZINC000004426727	210192071	/nfs/dbraw/zinc/19/20/71/210192071.db2.gz	SBRJFDJPIAPOCA-KAOXLYBCSA-N	0	3	335.491	5.186	40	30		EKEBHN
C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC	ZINC000004426728	210192288	/nfs/dbraw/zinc/19/22/88/210192288.db2.gz	SBRJFDJPIAPOCA-MYDTUXCISA-N	0	3	335.491	5.186	40	30		EKEBHN
CC(C)(C)N[C@@H](c1ccccc1)C1=CC(C)(C)c2ccccc2C1=O	ZINC000005459950	563533203	/nfs/dbraw/zinc/53/32/03/563533203.db2.gz	UAZPYFWXSMGWHR-FQEVSTJZSA-N	0	3	333.475	5.216	40	30		EKEBHN
O=C1CCCC2=C1C(c1ccccc1Cl)Sc1ccccc1N2	ZINC000007449823	564015536	/nfs/dbraw/zinc/01/55/36/564015536.db2.gz	YMNMCHYRSSQMOF-LJQANCHMSA-N	0	3	341.863	5.606	40	30		EKEBHN
O=C1CCCC2=C1C(c1ccccc1Cl)Sc1ccccc1N2	ZINC000007449835	564015530	/nfs/dbraw/zinc/01/55/30/564015530.db2.gz	YMNMCHYRSSQMOF-IBGZPJMESA-N	0	3	341.863	5.606	40	30		EKEBHN
CCCCCCCCc1ccc(C(=O)CCN2CCCCC2)cc1	ZINC000008214657	520049543	/nfs/dbraw/zinc/04/95/43/520049543.db2.gz	ODUILFNOMMYWTO-UHFFFAOYSA-N	0	3	329.528	5.648	40	30	in-man	EKEBHN
Oc1ccc(Cl)cc1C=NNc1c2ccccc2nc2ccccc21	ZINC000013284056	563693870	/nfs/dbraw/zinc/69/38/70/563693870.db2.gz	NCKMTMWOCZXEPQ-WSDLNYQXSA-N	0	3	347.805	5.193	40	30		EKEBHN
C(=N\N(c1ccccc1)c1ccccc1)\c1ccc(N2CCCC2)cc1	ZINC000015227477	564129839	/nfs/dbraw/zinc/12/98/39/564129839.db2.gz	XRWSIBVXSYPWLH-CLCOLTQESA-N	0	3	341.458	5.459	40	30		EKEBHN
CN1[C@@H](c2ccccc2)CC(=Nc2ccccc2)C[C@H]1c1ccccc1	ZINC000016940746	563826517	/nfs/dbraw/zinc/82/65/17/563826517.db2.gz	UVHKUWLZFPTNRD-PSWAGMNNSA-N	0	3	340.470	5.967	40	30		EKEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1Cl	ZINC000016955365	520292135	/nfs/dbraw/zinc/29/21/35/520292135.db2.gz	CPWGZKHMPCLWFI-KLQCNHIUSA-N	0	3	342.310	5.334	40	30		EKEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1Cl	ZINC000016955366	520310732	/nfs/dbraw/zinc/31/07/32/520310732.db2.gz	CPWGZKHMPCLWFI-ZHUYAKLQSA-N	0	3	342.310	5.334	40	30		EKEBHN
CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1	ZINC000016955367	520292089	/nfs/dbraw/zinc/29/20/89/520292089.db2.gz	QIXYIBIIMNDKCW-KLQCNHIUSA-N	0	3	342.310	5.334	40	30		EKEBHN
CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1	ZINC000016955368	520311729	/nfs/dbraw/zinc/31/17/29/520311729.db2.gz	QIXYIBIIMNDKCW-ZHUYAKLQSA-N	0	3	342.310	5.334	40	30		EKEBHN
Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CC2)cc1	ZINC000016969921	563827596	/nfs/dbraw/zinc/82/75/96/563827596.db2.gz	YKKMROBDBAPTHK-VHXPQNKSSA-N	0	3	326.443	5.173	40	30		EKEBHN
Cc1ccc(/N=C\N(C)Sc2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000017105329	563836483	/nfs/dbraw/zinc/83/64/83/563836483.db2.gz	LOYWPTGGWAAHAF-STZFKDTASA-N	0	3	326.509	5.900	40	30		EKEBHN
C[C@@H]1CCC[C@@H]1/C(=N/c1ccc(Cl)c(Cl)c1)N1CCCCC1	ZINC000017426394	563844411	/nfs/dbraw/zinc/84/44/11/563844411.db2.gz	IMPYITBOWWOOET-IAADXIDXSA-N	0	3	339.310	5.946	40	30		EKEBHN
C[C@H]1CCC[C@@H]1/C(=N/c1ccc(Cl)c(Cl)c1)N1CCCCC1	ZINC000017426398	563844483	/nfs/dbraw/zinc/84/44/83/563844483.db2.gz	IMPYITBOWWOOET-KVLUZXKMSA-N	0	3	339.310	5.946	40	30		EKEBHN
O/N=C1\CCC=CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1	ZINC000018119768	563848985	/nfs/dbraw/zinc/84/89/85/563848985.db2.gz	BFXQQPMAGMXACF-XMRRIMLESA-N	0	3	334.463	5.018	40	30		EKEBHN
O/N=C1\CCC=CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1	ZINC000018153326	563849625	/nfs/dbraw/zinc/84/96/25/563849625.db2.gz	BFXQQPMAGMXACF-GQOPQFTKSA-N	0	3	334.463	5.018	40	30		EKEBHN
O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1ccccc1	ZINC000055120946	214276789	/nfs/dbraw/zinc/27/67/89/214276789.db2.gz	PIJDQZXVKRTRSX-CCEZHUSRSA-N	0	3	343.470	5.269	40	30		EKEBHN
COc1ccc2[nH]c(-c3ccccc3)c(/C=N/C3CCCCC3)c2c1	ZINC000059513152	564050894	/nfs/dbraw/zinc/05/08/94/564050894.db2.gz	UEBQFZBSLQSVOB-HZHRSRAPSA-N	0	3	332.447	5.595	40	30		EKEBHN
CN1[C@@H](c2ccccc2)CC(=Nc2ccccc2)C[C@@H]1c1ccccc1	ZINC000073242592	216368295	/nfs/dbraw/zinc/36/82/95/216368295.db2.gz	UVHKUWLZFPTNRD-DNQXCXABSA-N	0	3	340.470	5.967	40	30		EKEBHN
CN1[C@H](c2ccccc2)CC(=Nc2ccccc2)C[C@H]1c1ccccc1	ZINC000073242593	203261862	/nfs/dbraw/zinc/26/18/62/203261862.db2.gz	UVHKUWLZFPTNRD-ZEQRLZLVSA-N	0	3	340.470	5.967	40	30		EKEBHN
CCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1	ZINC000100587333	219102201	/nfs/dbraw/zinc/10/22/01/219102201.db2.gz	SCKYVQMMXYGNQV-UHFFFAOYSA-N	0	3	343.511	5.165	40	30		EKEBHN
CCCCCCCCCCCCOc1ccccc1C1=NCCN1	ZINC000100933933	563982847	/nfs/dbraw/zinc/98/28/47/563982847.db2.gz	MUBDZSYHHCLHEA-UHFFFAOYSA-N	0	3	330.516	5.336	40	30		EKEBHN
C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC	ZINC000101261138	219119396	/nfs/dbraw/zinc/11/93/96/219119396.db2.gz	SBRJFDJPIAPOCA-LDVJMBRRSA-N	0	3	335.491	5.186	40	30		EKEBHN
C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CC	ZINC000101261142	219119627	/nfs/dbraw/zinc/11/96/27/219119627.db2.gz	SBRJFDJPIAPOCA-MLCQCVOFSA-N	0	3	335.491	5.186	40	30		EKEBHN
C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC	ZINC000101261145	206284500	/nfs/dbraw/zinc/28/45/00/206284500.db2.gz	SBRJFDJPIAPOCA-ACESQOTJSA-N	0	3	335.491	5.186	40	30		EKEBHN
C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC	ZINC000101261147	219120018	/nfs/dbraw/zinc/12/00/18/219120018.db2.gz	SBRJFDJPIAPOCA-GPJHCHHRSA-N	0	3	335.491	5.186	40	30		EKEBHN
CCCCCCCCC1(C(=O)OCCN(CC)CC)CCCCC1	ZINC000104049291	219342157	/nfs/dbraw/zinc/34/21/57/219342157.db2.gz	JLLMBUNEHOELLK-UHFFFAOYSA-N	0	3	339.564	5.573	40	30		EKEBHN
C[C@H]1CCC[C@@H]1/C(=N\c1ccc(Cl)c(Cl)c1)N1CCCCC1	ZINC000104090348	204096587	/nfs/dbraw/zinc/09/65/87/204096587.db2.gz	IMPYITBOWWOOET-QARARTDJSA-N	0	3	339.310	5.946	40	30		EKEBHN
Oc1ccc(Cl)cc1C=NNc1c2ccccc2nc2ccccc21	ZINC000104093224	204096445	/nfs/dbraw/zinc/09/64/45/204096445.db2.gz	NCKMTMWOCZXEPQ-UUYOSTAYSA-N	0	3	347.805	5.193	40	30		EKEBHN
CCCCCCCCCCCCCCCC(=O)NCCN(C)C	ZINC000104110112	219348348	/nfs/dbraw/zinc/34/83/48/219348348.db2.gz	YGAIULHEOURLHG-UHFFFAOYSA-N	0	3	326.569	5.146	40	30		EKEBHN
CCCCCCCCCCCCCCCCN1CCSCC1	ZINC000104190153	563983522	/nfs/dbraw/zinc/98/35/22/563983522.db2.gz	MYUYWDFPEUCEOG-UHFFFAOYSA-N	0	3	327.622	6.517	40	30		EKEBHN
Cc1ccc(/N=C/N(C)Sc2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000104196584	563983538	/nfs/dbraw/zinc/98/35/38/563983538.db2.gz	LOYWPTGGWAAHAF-KGENOOAVSA-N	0	3	326.509	5.900	40	30		EKEBHN
CCCCCCCCCCCC[C@@H](CN(C)C)C(=O)c1ccccc1	ZINC000104333528	563983571	/nfs/dbraw/zinc/98/35/71/563983571.db2.gz	MQMHFPBAIVWPAB-QFIPXVFZSA-N	0	3	345.571	6.358	40	30		EKEBHN
CCCCCCCCCCCC[C@H](CN(C)C)C(=O)c1ccccc1	ZINC000104333533	563983580	/nfs/dbraw/zinc/98/35/80/563983580.db2.gz	MQMHFPBAIVWPAB-JOCHJYFZSA-N	0	3	345.571	6.358	40	30		EKEBHN
Cc1ccc(/N=C(\C(c2ccccc2)c2ccccc2)N2CC2)cc1	ZINC000104333994	219374939	/nfs/dbraw/zinc/37/49/39/219374939.db2.gz	YKKMROBDBAPTHK-WCWDXBQESA-N	0	3	326.443	5.173	40	30		EKEBHN
CCCCCCCCN(CCCCCCCC)C(=N)OCCCC	ZINC000104355376	204106211	/nfs/dbraw/zinc/10/62/11/204106211.db2.gz	PVYGLNSQLZMYGK-UHFFFAOYSA-N	0	3	340.596	6.761	40	30		EKEBHN
CCCCCCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1	ZINC000105342515	564014160	/nfs/dbraw/zinc/01/41/60/564014160.db2.gz	BIGPXPSOKMAVRZ-UHFFFAOYSA-N	0	3	343.467	5.183	40	30		EKEBHN
CCCCCCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1	ZINC000105345189	563983760	/nfs/dbraw/zinc/98/37/60/563983760.db2.gz	GFYGNOYCEXUNOH-UHFFFAOYSA-N	0	3	343.467	5.183	40	30		EKEBHN
CCCCCCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1	ZINC000105346657	257867643	/nfs/dbraw/zinc/86/76/43/257867643.db2.gz	CLIGUCAWRZCFLQ-QGZVFWFLSA-N	0	3	329.484	5.450	40	30		EKEBHN
CCCCCCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1	ZINC000105346663	257867677	/nfs/dbraw/zinc/86/76/77/257867677.db2.gz	CLIGUCAWRZCFLQ-KRWDZBQOSA-N	0	3	329.484	5.450	40	30		EKEBHN
CCN(CC)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1	ZINC000254554717	564132271	/nfs/dbraw/zinc/13/22/71/564132271.db2.gz	YGBCLRRWZQSURU-UHFFFAOYSA-N	0	3	343.474	5.705	40	30		EKEBHN
CC(C)N(CCON=C1CCCCC/C1=C\c1ccccc1)C(C)C	ZINC000299888726	564132956	/nfs/dbraw/zinc/13/29/56/564132956.db2.gz	VIHOHTOSUXOBSD-RHRKZKCTSA-N	0	3	342.527	5.526	40	30		EKEBHN
CC(C)N(CCON=C1CCCCC/C1=C/c1ccccc1)C(C)C	ZINC000299888727	564132954	/nfs/dbraw/zinc/13/29/54/564132954.db2.gz	VIHOHTOSUXOBSD-YQHXDJBWSA-N	0	3	342.527	5.526	40	30		EKEBHN
COc1cccc2c(/C=N/C3CCCCC3)c(-c3ccccc3)[nH]c21	ZINC000408841845	563896173	/nfs/dbraw/zinc/89/61/73/563896173.db2.gz	HZBZDAMFTDMLCV-HZHRSRAPSA-N	0	3	332.447	5.595	40	30		EKEBHN