smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(O)(CC=C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)o1	ZINC000036157286	518688085	/nfs/dbraw/zinc/68/80/85/518688085.db2.gz	ZZMNPEAQHIWZEX-OAQYLSRUSA-N	1	0	381.516	4.801	10	30		GJEERO
CCCCCCCCCCOC(=O)C[N+](C)(C)CCOC(=O)c1ccccc1	ZINC000095676785	717139335	/nfs/dbraw/zinc/13/93/35/717139335.db2.gz	SBOONXSBXDPNDM-UHFFFAOYSA-N	1	0	392.560	4.604	10	30		GJEERO
C[NH+](C)CCCNc1cc(-c2ccc(F)cc2)c(C#N)c2nc3ccccc3n21	ZINC000072109086	211069229	/nfs/dbraw/zinc/06/92/29/211069229.db2.gz	IDGDFHWBACQEJH-UHFFFAOYSA-N	1	0	387.462	4.529	10	30		GJEERO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCCOC)Cc2ccc(C)cc2)o1	ZINC000036202839	518687448	/nfs/dbraw/zinc/68/74/48/518687448.db2.gz	XVXQKLBJLRPZDE-UHFFFAOYSA-N	1	0	383.532	4.967	10	30		GJEERO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](CCCOC)Cc2ccc(C)cc2)o1	ZINC000036202841	518587440	/nfs/dbraw/zinc/58/74/40/518587440.db2.gz	KZSBRZYCFNVSOD-UHFFFAOYSA-N	1	0	383.532	4.967	10	30		GJEERO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCCOC)Cc2ccc(F)cc2)o1	ZINC000036167747	518687757	/nfs/dbraw/zinc/68/77/57/518687757.db2.gz	ISZWCLVOURRSAS-UHFFFAOYSA-N	1	0	387.495	4.797	10	30		GJEERO
C=C[C@H]1C[N+]2(Cc3ccccc3)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccccc21	ZINC000014926831	519301643	/nfs/dbraw/zinc/30/16/43/519301643.db2.gz	RTHFVUKMXCJYPA-DZHWLZLASA-N	1	0	385.531	4.880	10	30		GJEERO
O=C(C[n+]1cccc(C(=O)c2ccccc2)c1)c1ccc(-c2ccccc2)cc1	ZINC000048564561	527195120	/nfs/dbraw/zinc/19/51/20/527195120.db2.gz	FEEGUKJAKQXJPM-UHFFFAOYSA-N	1	0	378.451	4.755	10	30		GJEERO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](CCCOC)Cc2ccc(OC)cc2)o1	ZINC000036167671	518586557	/nfs/dbraw/zinc/58/65/57/518586557.db2.gz	UEYHIBXYTAQSAK-UHFFFAOYSA-N	1	0	399.531	4.667	10	30		GJEERO
C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C=CC(=O)C4(C)C)C[C@@]35CC[C@]12C)[NH+](C)C	ZINC000096023611	290712135	/nfs/dbraw/zinc/71/21/35/290712135.db2.gz	NZZQZWQHKWTQRO-YKKKOGGMSA-N	1	0	399.619	4.692	10	30	biogenic	GJEERO
C[C@@H](CN=C1N=C(Nc2ccc(F)c(Cl)c2)S1)[NH2+]CCc1ccccc1	ZINC000020550542	570267602	/nfs/dbraw/zinc/26/76/02/570267602.db2.gz	RZCANTYBSYQCHB-ZDUSSCGKSA-N	1	0	390.915	4.571	10	30		GJEERO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](CCCOC)Cc2cccs2)o1	ZINC000036154664	570552950	/nfs/dbraw/zinc/55/29/50/570552950.db2.gz	HHHDZOBSFAMLSV-UHFFFAOYSA-N	1	0	375.534	4.720	10	30		GJEERO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1	ZINC000036157282	518688212	/nfs/dbraw/zinc/68/82/12/518688212.db2.gz	ZZMNPEAQHIWZEX-NRFANRHFSA-N	1	0	381.516	4.801	10	30		GJEERO
CC[N+](CC)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103630335	523633687	/nfs/dbraw/zinc/63/36/87/523633687.db2.gz	NCGGFISPASEJQK-UHFFFAOYSA-N	1	0	384.253	4.966	10	30		GJEERO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCCOC)Cc2cccs2)o1	ZINC000036154658	570552931	/nfs/dbraw/zinc/55/29/31/570552931.db2.gz	FWZGITSFQDLLAO-UHFFFAOYSA-N	1	0	375.534	4.720	10	30		GJEERO
C=CCC1(CC=C)CCC[N@H+]1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1	ZINC000012301428	209163713	/nfs/dbraw/zinc/16/37/13/209163713.db2.gz	BNJLJYIZIRZLEX-UHFFFAOYSA-N	1	0	397.519	4.589	10	30		GJEERO
CCCCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1	ZINC000102552340	520058394	/nfs/dbraw/zinc/05/83/94/520058394.db2.gz	HIEJIJCJWLPJSW-UHFFFAOYSA-N	1	0	395.507	4.523	10	30		GJEERO
O=C(C[n+]1ccccc1CCNc1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000002557702	527196290	/nfs/dbraw/zinc/19/62/90/527196290.db2.gz	OOUBHKJFSNTGRB-UHFFFAOYSA-N	1	0	386.302	4.818	10	30		GJEERO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1	ZINC000036157297	518587321	/nfs/dbraw/zinc/58/73/21/518587321.db2.gz	NDHSNSRWSDNMBQ-NRFANRHFSA-N	1	0	381.516	4.801	10	30		GJEERO
O=C(C[n+]1ccc(CCc2c[nH]c3ccccc23)cc1)c1ccc(Cl)cc1	ZINC000002557783	527196110	/nfs/dbraw/zinc/19/61/10/527196110.db2.gz	VVHLPYHXXPPURX-UHFFFAOYSA-N	1	0	375.879	4.777	10	30		GJEERO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCCOC)Cc2ccc(OC)cc2)o1	ZINC000036167667	518688704	/nfs/dbraw/zinc/68/87/04/518688704.db2.gz	RQLJHLRPXRDSCX-UHFFFAOYSA-N	1	0	399.531	4.667	10	30		GJEERO
C[N+](C)(C)CC(=O)c1ccc(N=Nc2ccc(NCCC#N)c(Cl)c2)cc1	ZINC000006068071	717103572	/nfs/dbraw/zinc/10/35/72/717103572.db2.gz	ZJVVMVAXMNDKDF-UHFFFAOYSA-O	1	0	384.891	4.970	10	30		GJEERO
C[C@H](CN=C1N=C(Nc2ccc(F)c(Cl)c2)S1)[NH2+]CCc1ccccc1	ZINC000020550544	570267664	/nfs/dbraw/zinc/26/76/64/570267664.db2.gz	RZCANTYBSYQCHB-CYBMUJFWSA-N	1	0	390.915	4.571	10	30		GJEERO
Cc1cc(C)c(NC(=O)C[N+]2(CC#Cc3ccccc3)CCCCC2)c(C)c1	ZINC000003194026	717095099	/nfs/dbraw/zinc/09/50/99/717095099.db2.gz	PKDLOEUCRLADFX-UHFFFAOYSA-O	1	0	375.536	4.603	10	30		GJEERO
CCCCCCCCCCCC[N@+](Cc1ccccc1)(C[C@@H](C)O)C[C@H](C)O	ZINC000238809269	717163726	/nfs/dbraw/zinc/16/37/26/717163726.db2.gz	OCENGNGWYUBTKD-OCYIUTNCSA-N	1	0	392.648	5.686	10	30		GJEERO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)o1	ZINC000036157300	518587108	/nfs/dbraw/zinc/58/71/08/518587108.db2.gz	NDHSNSRWSDNMBQ-OAQYLSRUSA-N	1	0	381.516	4.801	10	30		GJEERO
O=C(C[n+]1ccc(/C=C/c2ccccc2)cc1)Nc1ccc(Br)cc1	ZINC000008380763	206295268	/nfs/dbraw/zinc/29/52/68/206295268.db2.gz	BXPCQSKPFZFQNM-VOTSOKGWSA-O	1	0	394.292	4.546	10	30		GJEERO
CCCCCCCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1	ZINC000102552384	520037127	/nfs/dbraw/zinc/03/71/27/520037127.db2.gz	FNOHBFINCXGKQS-UHFFFAOYSA-N	1	0	379.508	4.905	10	30		GJEERO
C=CC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	ZINC000020873857	570284127	/nfs/dbraw/zinc/28/41/27/570284127.db2.gz	JBWHZYNBLAKYRJ-UHFFFAOYSA-N	1	0	376.294	4.621	10	30		GJEERO
C=C[C@@H]1C[N@@+]2(Cc3ccccc3)CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc21	ZINC000263618209	570492300	/nfs/dbraw/zinc/49/23/00/570492300.db2.gz	RTHFVUKMXCJYPA-RKIUOQLNSA-N	1	0	385.531	4.880	10	30		GJEERO
N#Cc1ccc(C[N+]2(Cc3nc(-c4ccc(Cl)cc4)no3)CCCCC2)cc1	ZINC000002557708	717095636	/nfs/dbraw/zinc/09/56/36/717095636.db2.gz	UZZNXPFWOBPMRF-UHFFFAOYSA-N	1	0	393.898	4.963	10	30		GJEERO