smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](Cc2cccc(OC)c2OC)C2CC2)o1	ZINC000036202381	518586718	/nfs/dbraw/zinc/58/67/18/518586718.db2.gz	IBXNHIQXQUTTLD-UHFFFAOYSA-N	1	2	397.515	4.801	10	30		GJEELO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](Cc2cccc(OC)c2OC)C2CC2)o1	ZINC000036202381	518586728	/nfs/dbraw/zinc/58/67/28/518586728.db2.gz	IBXNHIQXQUTTLD-UHFFFAOYSA-N	1	2	397.515	4.801	10	30		GJEELO
O=C(CN1CCS/C1=[NH+]\Cc1ccccc1)c1ccc(Cl)c(Cl)c1	ZINC000013571757	526797794	/nfs/dbraw/zinc/79/77/94/526797794.db2.gz	KWBVYIULQOVUJM-UZYVYHOESA-N	1	2	379.312	4.781	10	30		GJEELO
CC(=[NH+]Nc1ccnc2cc(Cl)ccc21)c1ccc(N2CCOCC2)cc1	ZINC000038333868	518452354	/nfs/dbraw/zinc/45/23/54/518452354.db2.gz	SEJNWPFOQNHHMM-IWIPYMOSSA-N	1	2	380.879	4.561	10	30		GJEELO
CC(C)C(=O)ONC(=[NH2+])c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	ZINC000004393722	519533154	/nfs/dbraw/zinc/53/31/54/519533154.db2.gz	FVNJACBQKWDEFK-UHFFFAOYSA-N	1	2	399.447	4.504	10	30		GJEELO
O=C(/N=C1/[NH+]=C2N=CC=CN2Cc2ccccc21)Nc1ccc(Cl)c(Cl)c1	ZINC000012559458	527660738	/nfs/dbraw/zinc/66/07/38/527660738.db2.gz	OXHLDPUJOUYMCH-KOEQRZSOSA-N	1	2	398.253	4.742	10	30		GJEELO
CC(C)(C#N)c1ccc(Nc2c(N)c[nH+]c3ccc(Br)cc32)cn1	ZINC000098179904	518507177	/nfs/dbraw/zinc/50/71/77/518507177.db2.gz	PNKJBXJDULKQKM-UHFFFAOYSA-N	1	2	382.265	4.519	10	30		GJEELO
N#C[C@H]([NH3+])CCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1	ZINC000098213272	526509961	/nfs/dbraw/zinc/50/99/61/526509961.db2.gz	AJFRPGQCGPTGAS-RUZDIDTESA-N	1	2	392.506	4.507	10	30		GJEELO
N#C[C@@H]([NH3+])CCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1	ZINC000098213271	526495605	/nfs/dbraw/zinc/49/56/05/526495605.db2.gz	AJFRPGQCGPTGAS-VWLOTQADSA-N	1	2	392.506	4.507	10	30		GJEELO
COc1ccc(NC(=[NH+]c2ccc(C)cc2C)n2sc(C)cc2=N)c(OC)c1	ZINC000020356979	523463245	/nfs/dbraw/zinc/46/32/45/523463245.db2.gz	KUBDKUSUYYESIS-UHFFFAOYSA-N	1	2	396.516	4.619	10	30		GJEELO
C[NH+](C)/C=C\c1snc(Sc2ncc(C(F)(F)F)cc2Cl)c1C#N	ZINC000083311198	206296963	/nfs/dbraw/zinc/29/69/63/206296963.db2.gz	QNYXSKYWPJHPGO-ARJAWSKDSA-N	1	2	390.843	4.765	10	30		GJEELO