smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(C=Nc1nc2cc(Cl)ccc2[nH]1)CCCC	ZINC000004123642	520337868	/nfs/dbraw/zinc/33/78/68/520337868.db2.gz	QWAADZQWUFDKGU-LDADJPATSA-N	0	3	306.841	4.778	10	30		DJEEHN
C[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1	ZINC000128954319	332016129	/nfs/dbraw/zinc/01/61/29/332016129.db2.gz	WJQUOFRQUJRFCQ-KBXCAEBGSA-N	0	3	306.409	4.511	10	30		DJEEHN
CC(C)(CCC#N)CN1CCC[C@H]1c1nc2ccccc2s1	ZINC000160723739	333367804	/nfs/dbraw/zinc/36/78/04/333367804.db2.gz	CMUUWXKNBANYGN-HNNXBMFYSA-N	0	3	313.470	4.763	10	30		DJEEHN
CCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1	ZINC000004375753	181104124	/nfs/dbraw/zinc/10/41/24/181104124.db2.gz	UWBQKEUMMHOFLM-MUQXEELRSA-N	0	3	308.425	4.709	10	30		DJEEHN
CN(C)c1ccc(/C=N\N(c2ccccc2)c2ccccc2)cc1	ZINC000004520989	181119343	/nfs/dbraw/zinc/11/93/43/181119343.db2.gz	YTJZGOONVHNAQC-XLNRJJMWSA-N	0	3	315.420	4.925	10	30		DJEEHN
CCOC(=O)c1c(/N=C/c2ccccc2)sc2c1CCCC2	ZINC000005461086	181246152	/nfs/dbraw/zinc/24/61/52/181246152.db2.gz	JWDPFMRXRSOPEI-XDHOZWIPSA-N	0	3	313.422	4.554	10	30		DJEEHN
CC[C@H](NCc1cccc(OCCCC#N)c1)c1cccs1	ZINC000236948278	332252233	/nfs/dbraw/zinc/25/22/33/332252233.db2.gz	RREUJWKUJQLIHT-KRWDZBQOSA-N	0	3	314.454	4.672	10	30		DJEEHN
C[C@@H](NCc1cccc(-c2ccccn2)c1)c1ccc(C#N)s1	ZINC000183349922	337191456	/nfs/dbraw/zinc/19/14/56/337191456.db2.gz	LIEJANRZWDYPDT-CQSZACIVSA-N	0	3	319.433	4.533	10	30		DJEEHN
CC(C)[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000100398688	563550501	/nfs/dbraw/zinc/55/05/01/563550501.db2.gz	XLYIKINYBVURBX-MCAVJPGKSA-N	0	3	308.425	4.565	10	30		DJEEHN
CCC[C@H]1/C(=N\O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000105392514	256581201	/nfs/dbraw/zinc/58/12/01/256581201.db2.gz	UWBQKEUMMHOFLM-APFGANQCSA-N	0	3	308.425	4.709	10	30		DJEEHN
CCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000100398702	563550446	/nfs/dbraw/zinc/55/04/46/563550446.db2.gz	UWBQKEUMMHOFLM-WVUGOTMXSA-N	0	3	308.425	4.709	10	30		DJEEHN
C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)c(F)c1	ZINC000181638498	333170898	/nfs/dbraw/zinc/17/08/98/333170898.db2.gz	UMXYMBFTPVCQQL-CYBMUJFWSA-N	0	3	314.379	4.617	10	30		DJEEHN
CC(C)(CCC#N)CN1CCC[C@@H]1c1nc2ccccc2s1	ZINC000160723583	333367831	/nfs/dbraw/zinc/36/78/31/333367831.db2.gz	CMUUWXKNBANYGN-OAHLLOKOSA-N	0	3	313.470	4.763	10	30		DJEEHN
N=C(Nc1ccc(Br)cc1Cl)C1CCCCC1	ZINC000062990013	184264983	/nfs/dbraw/zinc/26/49/83/184264983.db2.gz	XNWYTUCMXFIOJJ-UHFFFAOYSA-N	0	3	315.642	4.672	10	30		DJEEHN
C[C@H](NCCCCC(C)(C)C#N)c1ccccc1Br	ZINC000235506833	340660224	/nfs/dbraw/zinc/66/02/24/340660224.db2.gz	VGENSRLJMUJCGF-ZDUSSCGKSA-N	0	3	323.278	4.820	10	30		DJEEHN
C=CCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1	ZINC000028428177	563751360	/nfs/dbraw/zinc/75/13/60/563751360.db2.gz	WJIUJQIHHJPQOE-UHFFFAOYSA-N	0	3	322.235	4.848	10	30		DJEEHN
CC(C)[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1	ZINC000004936366	181175234	/nfs/dbraw/zinc/17/52/34/181175234.db2.gz	XLYIKINYBVURBX-PCYBQRIZSA-N	0	3	308.425	4.565	10	30		DJEEHN
CCCCCCCNCc1cc(Cl)cc(OC)c1OCC	ZINC000104208191	257272984	/nfs/dbraw/zinc/27/29/84/257272984.db2.gz	WDUYEXXROCCGJH-UHFFFAOYSA-N	0	3	313.869	4.807	10	30		DJEEHN
C[C@@H](NCCCCC(C)(C)C#N)c1ccccc1Br	ZINC000235193297	340657420	/nfs/dbraw/zinc/65/74/20/340657420.db2.gz	VGENSRLJMUJCGF-CYBMUJFWSA-N	0	3	323.278	4.820	10	30		DJEEHN
N=C(Nc1cc(Br)ccc1Cl)C1CCCCC1	ZINC000062987947	184264732	/nfs/dbraw/zinc/26/47/32/184264732.db2.gz	KXQONXTYVFRNCM-UHFFFAOYSA-N	0	3	315.642	4.672	10	30		DJEEHN
C[C@@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1	ZINC000128954540	332016037	/nfs/dbraw/zinc/01/60/37/332016037.db2.gz	WJQUOFRQUJRFCQ-RDTXWAMCSA-N	0	3	306.409	4.511	10	30		DJEEHN
C[C@H](N[C@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1	ZINC000128954776	332016157	/nfs/dbraw/zinc/01/61/57/332016157.db2.gz	WJQUOFRQUJRFCQ-KSSFIOAISA-N	0	3	306.409	4.511	10	30		DJEEHN
CCCCCCCCCCCCCCCN1CCN(N)CC1	ZINC000038153848	337379252	/nfs/dbraw/zinc/37/92/52/337379252.db2.gz	PWUYKMFFUGBHCP-UHFFFAOYSA-N	0	3	311.558	4.569	10	30		DJEEHN
CC[C@H]1C(=NO)[C@H](CC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000169297564	563646426	/nfs/dbraw/zinc/64/64/26/563646426.db2.gz	CKEIFXSNZGOKPW-UAFMIMERSA-N	0	3	322.452	4.955	10	30		DJEEHN
CC[C@@H](NCc1cccc(OCCCC#N)c1)c1cccs1	ZINC000237017743	332283525	/nfs/dbraw/zinc/28/35/25/332283525.db2.gz	RREUJWKUJQLIHT-QGZVFWFLSA-N	0	3	314.454	4.672	10	30		DJEEHN
C=CCNCc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000010315588	563836798	/nfs/dbraw/zinc/83/67/98/563836798.db2.gz	MCVWJNUNKLAEEN-UHFFFAOYSA-N	0	3	324.855	4.927	10	30		DJEEHN
C[C@H](NCc1cccc(-c2ccccn2)c1)c1ccc(C#N)s1	ZINC000183349897	337191490	/nfs/dbraw/zinc/19/14/90/337191490.db2.gz	LIEJANRZWDYPDT-AWEZNQCLSA-N	0	3	319.433	4.533	10	30		DJEEHN
C[C@@H](N[C@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1	ZINC000128955000	332016054	/nfs/dbraw/zinc/01/60/54/332016054.db2.gz	WJQUOFRQUJRFCQ-KDOFPFPSSA-N	0	3	306.409	4.511	10	30		DJEEHN
CCCCCCCOc1ccc(OCCN2CCCC2)cc1	ZINC000035949545	581095349	/nfs/dbraw/zinc/09/53/49/581095349.db2.gz	HREPIZMYDARKAH-UHFFFAOYSA-N	0	3	305.462	4.510	10	30		DJEEHN