smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([NH+]2CCC(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1	ZINC000219867310	568499535	/nfs/dbraw/zinc/49/95/35/568499535.db2.gz	LLMQCQBRNXTYCJ-UHFFFAOYSA-N	2	2	406.574	3.280	40	10		HGCBLP
CN(C)c1ccc(C[NH2+]C2(Cc3cc(C[N@H+](C)Cc4ccccc4)on3)COC2)cc1	ZINC000067898110	291235441	/nfs/dbraw/zinc/23/54/41/291235441.db2.gz	USGRLESJRRKCCC-UHFFFAOYSA-N	2	2	420.557	3.474	40	10	biogenic,in-vitro	HGCBLP
CN(C)c1ccc(C[NH2+]C2(Cc3cc(C[N@@H+](C)Cc4ccccc4)on3)COC2)cc1	ZINC000067898110	291235445	/nfs/dbraw/zinc/23/54/45/291235445.db2.gz	USGRLESJRRKCCC-UHFFFAOYSA-N	2	2	420.557	3.474	40	10	biogenic,in-vitro	HGCBLP
COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c(O)c1	ZINC000035425803	291239794	/nfs/dbraw/zinc/23/97/94/291239794.db2.gz	CUMVEEYFBBLEBG-SFHVURJKSA-N	2	2	418.457	3.369	40	10	biogenic,in-vitro	HGCBLP
Cc1nc(N2CCCC2)cc(CC2CC[NH+](Cc3ccc(N(C)CCO)cc3)CC2)[nH+]1	ZINC000019758617	558275051	/nfs/dbraw/zinc/27/50/51/558275051.db2.gz	JFQUTLZCJXTWMP-UHFFFAOYSA-N	2	2	423.605	3.268	40	10		HGCBLP
C[NH+](C)C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccnc(N2CCCC2)n1	ZINC000019583323	558937763	/nfs/dbraw/zinc/93/77/63/558937763.db2.gz	CZRXZUUQDFRSER-IEBWSBKVSA-N	2	2	415.969	3.213	40	10		HGCBLP
C[NH+](C)C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccnc(N2CCCC2)n1	ZINC000019583323	558937768	/nfs/dbraw/zinc/93/77/68/558937768.db2.gz	CZRXZUUQDFRSER-IEBWSBKVSA-N	2	2	415.969	3.213	40	10		HGCBLP
COc1ccc(C[NH2+]C2(Cc3cc(C[N@H+](C)Cc4ccccc4)on3)COC2)c(O)c1	ZINC000072321936	560076380	/nfs/dbraw/zinc/07/63/80/560076380.db2.gz	GLEOSSDJHBPYAB-UHFFFAOYSA-N	2	2	423.513	3.122	40	10	biogenic,in-vitro	HGCBLP
COc1ccc(C[NH2+]C2(Cc3cc(C[N@@H+](C)Cc4ccccc4)on3)COC2)c(O)c1	ZINC000072321936	560076382	/nfs/dbraw/zinc/07/63/82/560076382.db2.gz	GLEOSSDJHBPYAB-UHFFFAOYSA-N	2	2	423.513	3.122	40	10	biogenic,in-vitro	HGCBLP
COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cccc(F)c2)cc1Cn1cc[nH+]c1	ZINC000019559503	558920683	/nfs/dbraw/zinc/92/06/83/558920683.db2.gz	KSRPXTSLEKWMTF-OFNKIYASSA-N	2	2	408.477	3.189	40	10		HGCBLP