smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1ccc(OC)cc1)N(C)[C@H]2c1ccc(OC)cc1	ZINC000071319240	211045499	/nfs/dbraw/zinc/04/54/99/211045499.db2.gz	PWCMPIDFGSHGKA-GXSHZHGVSA-N	0	3	394.515	4.850	1	30		GJEFHN
CCCCCCCCCCCCCCO[C@H](Cc1nnn[n-]1)C[N+](C)(C)C	ZINC000043273754	717128462	/nfs/dbraw/zinc/12/84/62/717128462.db2.gz	RLNFJAVTOZOVSG-HXUWFJFHSA-N	0	3	382.617	4.535	1	30		GJEFHN
CCCCCCCCCCCCCCO[C@H](Cc1nn[n-]n1)C[N+](C)(C)C	ZINC000043273754	717128463	/nfs/dbraw/zinc/12/84/63/717128463.db2.gz	RLNFJAVTOZOVSG-HXUWFJFHSA-N	0	3	382.617	4.535	1	30		GJEFHN
C=C1CCN(C[C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000013449231	209164336	/nfs/dbraw/zinc/16/43/36/209164336.db2.gz	XOTAHPXSQYXPAO-QGZVFWFLSA-N	0	3	381.347	4.569	1	30		GJEFHN
CN(C)C[C@H]1CCC/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O	ZINC000005923806	204156791	/nfs/dbraw/zinc/15/67/91/204156791.db2.gz	IABGDOXLULLEQD-YWXUCKCNSA-N	0	3	397.902	4.873	3	30		GJEFHN
C=CCOC(=O)C1C(=C)N=C(C)C(C(=O)OCC=C)[C@@H]1/C=C/c1ccccc1	ZINC000101552834	209137868	/nfs/dbraw/zinc/13/78/68/209137868.db2.gz	KIVUUBNESBDMRQ-WWZXSYHTSA-N	0	3	379.456	4.766	1	30		GJEFHN
O=C(C#Cc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1	ZINC000026994399	209178808	/nfs/dbraw/zinc/17/88/08/209178808.db2.gz	SOLVPMUSYQWCJS-UHFFFAOYSA-N	0	3	394.518	4.736	1	30		GJEFHN
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1cccc(OC)c1)N(C)[C@H]2c1cccc(OC)c1	ZINC000071318125	205280575	/nfs/dbraw/zinc/28/05/75/205280575.db2.gz	YONHWJHCWPXWPG-GXSHZHGVSA-N	0	3	394.515	4.850	1	30		GJEFHN
CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1cccc(OC)c1)N[C@@H]2c1cccc(OC)c1	ZINC000058520256	205177304	/nfs/dbraw/zinc/17/73/04/205177304.db2.gz	BKDUVIWIGOWQNK-PGVPCHRCSA-N	0	3	394.515	4.898	1	30		GJEFHN
CN(C)CCNc1cc(-c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n21	ZINC000072107269	205303061	/nfs/dbraw/zinc/30/30/61/205303061.db2.gz	SYPVHJJJGJPQRK-UHFFFAOYSA-N	0	3	389.890	4.653	1	30		GJEFHN
COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN3CCCCC3)cc1)C2	ZINC000040900245	205073870	/nfs/dbraw/zinc/07/38/70/205073870.db2.gz	IIVMDNBMVDWDCL-UDWIEESQSA-N	0	3	377.484	4.512	1	30		GJEFHN
N#Cc1ccccc1-n1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21	ZINC000103265600	136191112	/nfs/dbraw/zinc/19/11/12/136191112.db2.gz	MZBKJFCCDLODJF-UHFFFAOYSA-N	0	3	392.506	4.824	1	30		GJEFHN
C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCN=C2S1	ZINC000049841567	581091237	/nfs/dbraw/zinc/09/12/37/581091237.db2.gz	ZEZPDHKACVMMCD-UHFFFAOYSA-N	0	3	378.611	4.590	1	30	in-vitro	GJEFHN
CCCCCCCCCCCCCCO[C@@H](Cc1nnn[n-]1)C[N+](C)(C)C	ZINC000043273752	717128578	/nfs/dbraw/zinc/12/85/78/717128578.db2.gz	RLNFJAVTOZOVSG-FQEVSTJZSA-N	0	3	382.617	4.535	1	30		GJEFHN
CCCCCCCCCCCCCCO[C@@H](Cc1nn[n-]n1)C[N+](C)(C)C	ZINC000043273752	717128580	/nfs/dbraw/zinc/12/85/80/717128580.db2.gz	RLNFJAVTOZOVSG-FQEVSTJZSA-N	0	3	382.617	4.535	1	30		GJEFHN
COc1cccc([C@@H]2N[C@H](c3cccc(OC)c3)[C@@]3(C)CCC[C@@H]2/C3=N\O)c1	ZINC000084432506	211168956	/nfs/dbraw/zinc/16/89/56/211168956.db2.gz	KXJPOZONBNJYPY-LGMVNXLTSA-N	0	3	380.488	4.726	1	30		GJEFHN
CCOC(=O)C(C#N)[C@H](c1ccc(OC)cc1OC)c1cccc2ccccc21	ZINC000028865696	207349231	/nfs/dbraw/zinc/34/92/31/207349231.db2.gz	CNKCDDUMEAKBMY-GMAHTHKFSA-N	0	3	389.451	4.692	1	30		GJEFHN
C[C@]12CC[C@H]3[C@@H](CC(=C(F)F)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O	ZINC000049802626	222002128	/nfs/dbraw/zinc/00/21/28/222002128.db2.gz	NIEPMSLJMXDOQN-BLTQNSBFSA-N	0	3	394.506	4.690	1	30		GJEFHN
C1=C(CSC(=NC2CCCCC2)NC2CCCCCC2)N2CCN=C2S1	ZINC000049615335	581091272	/nfs/dbraw/zinc/09/12/72/581091272.db2.gz	VJAJZCNSLLUQCP-UHFFFAOYSA-N	0	3	392.638	4.981	1	30		GJEFHN
CCCCCCCCNc1ccc(C(=O)OCCN(C)C)cc1Br	ZINC000073159489	208034088	/nfs/dbraw/zinc/03/40/88/208034088.db2.gz	ZXJJKXVOUSHBPI-UHFFFAOYSA-N	0	3	399.373	4.940	1	30		GJEFHN
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccco1)c1ccnc2ccccc21	ZINC000016102187	221357888	/nfs/dbraw/zinc/35/78/88/221357888.db2.gz	BNCYCRLSBXRGLJ-QWGAEKNKSA-N	0	3	388.467	4.622	1	30		GJEFHN
N#CC1(c2ccccc2)CCN(CCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000064559730	222073414	/nfs/dbraw/zinc/07/34/14/222073414.db2.gz	UZFOBJFVJBFXJO-UHFFFAOYSA-N	0	3	390.918	4.857	1	30		GJEFHN
CCN(CC)CC#CCCC1([C@@](C)(O)c2ccccc2)SCCCS1	ZINC000013821729	212098764	/nfs/dbraw/zinc/09/87/64/212098764.db2.gz	IRJWUOWTMXXIFO-FQEVSTJZSA-N	0	3	377.619	4.586	1	30		GJEFHN
C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1	ZINC000049573630	581091231	/nfs/dbraw/zinc/09/12/31/581091231.db2.gz	UHRQNTXKNDYFNS-UHFFFAOYSA-N	0	3	392.638	4.981	1	30		GJEFHN
C=C1CCN(C[C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000013449234	212098534	/nfs/dbraw/zinc/09/85/34/212098534.db2.gz	XOTAHPXSQYXPAO-KRWDZBQOSA-N	0	3	381.347	4.569	1	30		GJEFHN
CCOC(=O)C(C#N)[C@H](c1ccc(OC)cc1OC)c1cccc2ccccc21	ZINC000028865699	207349429	/nfs/dbraw/zinc/34/94/29/207349429.db2.gz	CNKCDDUMEAKBMY-GGAORHGYSA-N	0	3	389.451	4.692	1	30		GJEFHN
C=CCOC(=O)C1C(=C)N=C(C)C(C(=O)OCC=C)[C@H]1/C=C/c1ccccc1	ZINC000019794781	212106903	/nfs/dbraw/zinc/10/69/03/212106903.db2.gz	KIVUUBNESBDMRQ-KJFFQWBWSA-N	0	3	379.456	4.766	1	30		GJEFHN