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/c1ccccc1)\c1[nH+]c(-c2ccccc2)n2ccccc12	ZINC000001448678	169706800	/nfs/dbraw/zinc/70/68/00/169706800.db2.gz	VOXUKQVTBOXBII-RCCKNPSSSA-N	1	2	297.361	4.752	40	30		CJEBLO
C[NH+]=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000001590054	567838663	/nfs/dbraw/zinc/83/86/63/567838663.db2.gz	MJSYQEWTRBFUSN-UHFFFAOYSA-N	1	2	276.166	4.725	40	30		CJEBLO
Oc1ccccc1C=[NH+][C@H]1[C@@H]2CCC[C@H]1C1=C(CCCC1)C2	ZINC000004024879	567932468	/nfs/dbraw/zinc/93/24/68/567932468.db2.gz	USZLVICCEDTGEY-RYXOADMISA-N	1	2	295.426	4.870	40	30		CJEBLO
CSc1ccc(/[NH+]=C\C=C/c2ccccc2)cc1	ZINC000005125287	170068255	/nfs/dbraw/zinc/06/82/55/170068255.db2.gz	NOPRFMXZPWEAIX-FDECCZIWSA-N	1	2	253.370	4.824	40	30		CJEBLO
C(=N/c1c2ccccc2[nH+]c2ccccc21)\c1ccco1	ZINC000005800534	570384980	/nfs/dbraw/zinc/38/49/80/570384980.db2.gz	WQDUFJICPUNQLH-XDHOZWIPSA-N	1	2	272.307	4.732	40	30		CJEBLO
[NH2+]=C(Nc1ccc(Cl)cc1Cl)c1ccccc1Cl	ZINC000006863658	170251342	/nfs/dbraw/zinc/25/13/42/170251342.db2.gz	KMFRYRRZEZVIAU-UHFFFAOYSA-N	1	2	299.588	4.684	40	30		CJEBLO
[NH2+]=C(Nc1cc(Cl)ccc1Cl)c1ccccc1Cl	ZINC000008379936	170334096	/nfs/dbraw/zinc/33/40/96/170334096.db2.gz	SOVGEKZCLDQCKK-UHFFFAOYSA-N	1	2	299.588	4.684	40	30		CJEBLO
CC1=Nc2ccccc2C1=[NH+]Nc1cccc2ccccc21	ZINC000012603395	528153868	/nfs/dbraw/zinc/15/38/68/528153868.db2.gz	SMDWIFFHCMHDJR-ZBJSNUHESA-N	1	2	285.350	4.762	40	30		CJEBLO
C/[NH+]=C(\SC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000016322992	567872761	/nfs/dbraw/zinc/87/27/61/567872761.db2.gz	AABDABAMYMEADG-SDXDJHTJSA-N	1	2	293.476	4.727	40	30		CJEBLO
CSc1ccc(/[NH+]=C/C=C\c2ccccc2)cc1	ZINC000016980046	570225879	/nfs/dbraw/zinc/22/58/79/570225879.db2.gz	NOPRFMXZPWEAIX-KERZFVRCSA-N	1	2	253.370	4.824	40	30		CJEBLO
CSC1=C/C(=[NH+]\Cc2ccccc2)CC(C)(C)S1	ZINC000017142935	567874913	/nfs/dbraw/zinc/87/49/13/567874913.db2.gz	OZPOPMKWFFSMGB-DTQAZKPQSA-N	1	2	277.458	4.748	40	30		CJEBLO
CC1=Nc2ccccc2C1=[NH+]Nc1cccc2ccccc21	ZINC000100845047	567889388	/nfs/dbraw/zinc/88/93/88/567889388.db2.gz	SMDWIFFHCMHDJR-QOCHGBHMSA-N	1	2	285.350	4.762	40	30		CJEBLO
CCCCCCCCCCCCCCOC(=O)C[NH+](C)C	ZINC000100934613	567914090	/nfs/dbraw/zinc/91/40/90/567914090.db2.gz	DZUJSXDQZILVCD-UHFFFAOYSA-N	1	2	299.499	4.792	40	30		CJEBLO
CSc1ccc(/[NH+]=C\C=C\c2ccccc2)cc1	ZINC000104139931	185908628	/nfs/dbraw/zinc/90/86/28/185908628.db2.gz	NOPRFMXZPWEAIX-ZCHSMSPKSA-N	1	2	253.370	4.824	40	30		CJEBLO
CCCCCCCC[N@H+]1CO[C@H]2CCc3ccccc3[C@@H]21	ZINC000104225232	528129227	/nfs/dbraw/zinc/12/92/27/528129227.db2.gz	JVJYHXWGCLLKRU-OALUTQOASA-N	1	2	287.447	4.693	40	30		CJEBLO
CCCCCCCC[N@@H+]1CO[C@H]2CCc3ccccc3[C@@H]21	ZINC000104225232	528129222	/nfs/dbraw/zinc/12/92/22/528129222.db2.gz	JVJYHXWGCLLKRU-OALUTQOASA-N	1	2	287.447	4.693	40	30		CJEBLO
CCCCCCCC[N@H+]1CO[C@@H]2CCc3ccccc3[C@@H]21	ZINC000104225236	528129820	/nfs/dbraw/zinc/12/98/20/528129820.db2.gz	JVJYHXWGCLLKRU-MOPGFXCFSA-N	1	2	287.447	4.693	40	30		CJEBLO
CCCCCCCC[N@@H+]1CO[C@@H]2CCc3ccccc3[C@@H]21	ZINC000104225236	528129815	/nfs/dbraw/zinc/12/98/15/528129815.db2.gz	JVJYHXWGCLLKRU-MOPGFXCFSA-N	1	2	287.447	4.693	40	30		CJEBLO
CSC1=C/C(=[NH+]/Cc2ccccc2)CC(C)(C)S1	ZINC000104246866	567916496	/nfs/dbraw/zinc/91/64/96/567916496.db2.gz	OZPOPMKWFFSMGB-SSZFMOIBSA-N	1	2	277.458	4.748	40	30		CJEBLO
Oc1ccc(/C=N/c2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000107683865	186184734	/nfs/dbraw/zinc/18/47/34/186184734.db2.gz	KTSXDLYCHGJQLY-FYJGNVAPSA-N	1	2	298.345	4.844	40	30		CJEBLO
Cc1cc(/C=[NH+]/Cc2ccccc2)c(C)n1-c1ccccc1	ZINC000408780641	567933281	/nfs/dbraw/zinc/93/32/81/567933281.db2.gz	GXFWXQMCVLWRQX-RCCKNPSSSA-N	1	2	288.394	4.713	40	30		CJEBLO
Cc1cc(/C=[NH+]\C2CCCCC2)c(C)n1-c1ccc(F)cc1	ZINC000408782717	567933327	/nfs/dbraw/zinc/93/33/27/567933327.db2.gz	ITNNWGFKBWCKNP-BKUYFWCQSA-N	1	2	298.405	4.985	40	30		CJEBLO
Clc1ccc(-n2cccc2/C=[NH+]\C2CCCCC2)cc1	ZINC000408851778	567933053	/nfs/dbraw/zinc/93/30/53/567933053.db2.gz	GBWKKLJPFBYODZ-UYRXBGFRSA-N	1	2	286.806	4.882	40	30		CJEBLO