smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCNc1ccc(C[NH3+])c2sc3ccccc3c(=O)c12	ZINC000003791310	204110147	/nfs/dbraw/zinc/11/01/47/204110147.db2.gz	RPGMVOVTCDJHJS-UHFFFAOYSA-N	2	0	355.507	3.627	1	5		FHBFRP
C[NH+](C)CCN1CCN(c2c3[nH]c4ccccc4c3[nH+]c3ccccc32)CC1	ZINC000095573836	535875523	/nfs/dbraw/zinc/87/55/23/535875523.db2.gz	JFHPAQKFVDFLBY-UHFFFAOYSA-N	2	0	373.504	3.553	1	5		FHBFRP
CCC[NH+](CCC)[C@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1	ZINC000073158413	717133773	/nfs/dbraw/zinc/13/37/73/717133773.db2.gz	PHYCQDDAIMNIIQ-QFIPXVFZSA-N	2	0	361.550	3.806	1	5		FHBFRP
C[n+]1c2c3cc(F)cc(F)c3[nH]c2c(NCCC[NH+](C)C)c2ccccc21	ZINC000040950036	205085185	/nfs/dbraw/zinc/08/51/85/205085185.db2.gz	WATBPXAWEJWVIL-UHFFFAOYSA-O	2	0	369.439	3.941	1	5		FHBFRP
COc1ccc2c(C[NH+]3CCC([NH3+])CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000043121620	205101082	/nfs/dbraw/zinc/10/10/82/205101082.db2.gz	ZSRWEZQDWWRQGT-UHFFFAOYSA-N	2	0	364.445	3.653	1	5		FHBFRP
[NH3+]CCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc(C[NH3+])cc3)ccc12	ZINC000028955880	207979043	/nfs/dbraw/zinc/97/90/43/207979043.db2.gz	OLXNSQUIKOGYDP-UHFFFAOYSA-N	2	0	357.457	3.698	1	5		FHBFRP
C[N+]1(CCCCCCCCCCCC[N+]2(C)CCOCC2)CCOCC1	ZINC000006068258	717103365	/nfs/dbraw/zinc/10/33/65/717103365.db2.gz	RWKTWTWPAAUDTL-UHFFFAOYSA-N	2	0	370.622	3.841	1	5		FHBFRP
C[N@+]1(CC[N@+]2(C)CCC[C@@H]2c2cccnc2)CCC[C@H]1c1cccnc1	ZINC000253917788	717169133	/nfs/dbraw/zinc/16/91/33/717169133.db2.gz	MJRIWDXWCJJQJG-CEWHCAETSA-N	2	0	352.526	3.740	1	5		FHBFRP
C[n+]1c2c3cc(F)cc(F)c3[nH]c2c(NCC[NH+](C)C)c2ccccc21	ZINC000049563427	221025973	/nfs/dbraw/zinc/02/59/73/221025973.db2.gz	WRLAAIPYYUEIDK-UHFFFAOYSA-O	2	0	355.412	3.551	1	5		FHBFRP
CCC[NH+](CCC)[C@@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1	ZINC000073158417	717133824	/nfs/dbraw/zinc/13/38/24/717133824.db2.gz	PHYCQDDAIMNIIQ-JOCHJYFZSA-N	2	0	361.550	3.806	1	5		FHBFRP