smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@H](Cc2ccccc2)[NH2+]Cc2ccccc2)c1O	ZINC000031923725	202213687	/nfs/dbraw/zinc/21/36/87/202213687.db2.gz	DREJHPHFNSAAHL-FQEVSTJZSA-N	1	0	333.431	4.474	40	10		EICBRO
COc1cccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccccc2)c1O	ZINC000031923723	202213315	/nfs/dbraw/zinc/21/33/15/202213315.db2.gz	DREJHPHFNSAAHL-HXUWFJFHSA-N	1	0	333.431	4.474	40	10		EICBRO
Cc1ccc(O)c(C[N@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)c1	ZINC000036740229	202331200	/nfs/dbraw/zinc/33/12/00/202331200.db2.gz	NTOKJWFWFNELKB-LJQANCHMSA-N	1	0	339.483	4.146	40	10		EICBRO
Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)OCO2	ZINC000006512626	563570893	/nfs/dbraw/zinc/57/08/93/563570893.db2.gz	KDSLFUPFGAIYOZ-IBGZPJMESA-N	1	0	345.826	4.350	40	10		EICBRO
COc1ccc2c(c1)sc(=[N+]=Nc1ccc(N(C)C)cc1)n2C	ZINC000005159499	563521769	/nfs/dbraw/zinc/52/17/69/563521769.db2.gz	WVUKFQBBZVBJRZ-UHFFFAOYSA-N	1	0	327.433	4.216	40	10		EICBRO
CC[NH+](CC)Cc1cc(Nc2ncnc3scc(C)c32)ccc1O	ZINC000001560347	563392104	/nfs/dbraw/zinc/39/21/04/563392104.db2.gz	QXZMFTHATRVHJC-UHFFFAOYSA-N	1	0	342.468	4.291	40	10		EICBRO
Cc1ccc(O)c(C[N@H+](CCCn2ccnc2)Cc2ccccc2C)c1	ZINC000036740163	213115021	/nfs/dbraw/zinc/11/50/21/213115021.db2.gz	KWVAHXQYCJVZAF-UHFFFAOYSA-N	1	0	349.478	4.298	40	10		EICBRO
Oc1cc2c(cc1O)[C@@H](c1cccc(Oc3ccccc3)c1)[NH2+]CC2	ZINC000003722903	210073702	/nfs/dbraw/zinc/07/37/02/210073702.db2.gz	DIANRWDVZJCNAA-OAQYLSRUSA-N	1	0	333.387	4.125	40	10		EICBRO
CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000104345672	219376294	/nfs/dbraw/zinc/37/62/94/219376294.db2.gz	ADUOESXTMZGRDJ-MRCUWXFGSA-N	1	0	341.411	4.306	40	10		EICBRO
C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(C[NH+]3CCCC3)cc1OC2(C)C	ZINC000257248878	244263262	/nfs/dbraw/zinc/26/32/62/244263262.db2.gz	JFQQLNUTZJZPOQ-NRXGSXMXSA-N	1	0	331.456	4.015	40	10		EICBRO
CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000004769351	563510838	/nfs/dbraw/zinc/51/08/38/563510838.db2.gz	ADUOESXTMZGRDJ-QZQOTICOSA-N	1	0	341.411	4.306	40	10		EICBRO
Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2O)s1	ZINC000043277866	563925650	/nfs/dbraw/zinc/92/56/50/563925650.db2.gz	JZUHOEVAXUHDMJ-UHFFFAOYSA-N	1	0	341.480	4.051	40	10		EICBRO
Cc1ccc(O)c(C[N@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)c1	ZINC000036740228	213114140	/nfs/dbraw/zinc/11/41/40/213114140.db2.gz	NTOKJWFWFNELKB-IBGZPJMESA-N	1	0	339.483	4.146	40	10		EICBRO
Cc1ccc2oc([C@H]3CC[N@@H+](Cc4ccc(N(C)C)cc4)C3)nc2c1	ZINC000035446482	213028812	/nfs/dbraw/zinc/02/88/12/213028812.db2.gz	NNGSRGLIPNLASI-KRWDZBQOSA-N	1	0	335.451	4.192	40	10	biogenic,in-vitro	EICBRO
CC(C)[NH2+]CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21	ZINC000005493360	563535030	/nfs/dbraw/zinc/53/50/30/563535030.db2.gz	QXNCBKQFKXJKGD-UHFFFAOYSA-N	1	0	338.411	4.096	40	10		EICBRO
Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)OCO2	ZINC000001587172	563394705	/nfs/dbraw/zinc/39/47/05/563394705.db2.gz	KDSLFUPFGAIYOZ-LJQANCHMSA-N	1	0	345.826	4.350	40	10		EICBRO
CN1CC[NH+](Cc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)CC1	ZINC000019366600	212022780	/nfs/dbraw/zinc/02/27/80/212022780.db2.gz	FYSNJHLSYKTLAB-UHFFFAOYSA-N	1	0	338.495	4.104	40	10		EICBRO
Cc1cc(C(=O)C[NH2+]Cc2ccccc2)c(C)n1-c1ccccc1F	ZINC000096305895	563980713	/nfs/dbraw/zinc/98/07/13/563980713.db2.gz	NJDGWJLVBVUCDK-UHFFFAOYSA-N	1	0	336.410	4.206	40	10		EICBRO
Oc1cc2c(cc1O)[C@H](c1cccc(Oc3ccccc3)c1)[NH2+]CC2	ZINC000003722902	210073180	/nfs/dbraw/zinc/07/31/80/210073180.db2.gz	DIANRWDVZJCNAA-NRFANRHFSA-N	1	0	333.387	4.125	40	10		EICBRO
COCCC[NH2+]Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	ZINC000223675106	241677145	/nfs/dbraw/zinc/67/71/45/241677145.db2.gz	WUOWLWCHYCKWBA-UHFFFAOYSA-N	1	0	340.389	4.239	40	10		EICBRO
CCN(CC)c1ccc(C[N@H+](CCO)Cc2ccc(Cl)cc2)cc1	ZINC000001671990	563401654	/nfs/dbraw/zinc/40/16/54/563401654.db2.gz	OJXIDQSROUSXRW-UHFFFAOYSA-N	1	0	346.902	4.181	40	10		EICBRO
CC[NH+](CC)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21	ZINC000005649914	563543660	/nfs/dbraw/zinc/54/36/60/563543660.db2.gz	KQXNZWRSJOPJHO-UHFFFAOYSA-N	1	0	338.411	4.050	40	10		EICBRO