smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)c2nccnc21	ZINC000019133259	570958639	/nfs/dbraw/zinc/95/86/39/570958639.db2.gz	ZZWOYSHEMXYXCX-MRXNPFEDSA-N	0	3	394.479	1.966	40	10		GDCBHN
CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)c2nccnc21	ZINC000019133259	570958641	/nfs/dbraw/zinc/95/86/41/570958641.db2.gz	ZZWOYSHEMXYXCX-MRXNPFEDSA-N	0	3	394.479	1.966	40	10		GDCBHN
Oc1ccccc1CN1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1	ZINC000225465225	206050132	/nfs/dbraw/zinc/05/01/32/206050132.db2.gz	VZOWCDICFPCQFI-MRXNPFEDSA-N	0	3	389.521	1.899	40	10	biogenic,in-vitro	GDCBHN
Cc1cc(CN2CCC(C(N)=O)(N3CCOCC3)CC2)ccc1N1CCCC1	ZINC000019658642	207145101	/nfs/dbraw/zinc/14/51/01/207145101.db2.gz	CXJJLTZYVSDWFM-UHFFFAOYSA-N	0	3	386.540	1.747	40	10		GDCBHN
Nc1ccc(CNCCN(Cc2ccc(N)cc2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575421510	570308113	/nfs/dbraw/zinc/30/81/13/570308113.db2.gz	QURDGYMQPFIEGE-FQEVSTJZSA-N	0	3	388.537	1.630	40	10		GDCBHN
Oc1ccccc1CN1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514290016	560030713	/nfs/dbraw/zinc/03/07/13/560030713.db2.gz	RFAPLAXLHUJRSU-VQTJNVASSA-N	0	3	380.492	1.293	40	10	biogenic,in-vitro	GDCBHN
Oc1ccccc1CN1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514289130	560033207	/nfs/dbraw/zinc/03/32/07/560033207.db2.gz	IDROKAOPXZACHA-NHCUHLMSSA-N	0	3	379.504	1.898	40	10	biogenic,in-vitro	GDCBHN
COc1cccc(/C=C2\SC(=S)N(CC(=O)NCCN(C)C)C2=O)c1	ZINC000054361044	212059226	/nfs/dbraw/zinc/05/92/26/212059226.db2.gz	GACCVAIDLYTLMU-UVTDQMKNSA-N	0	3	379.507	1.574	40	10		GDCBHN
Oc1ccccc1CN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514289128	560033204	/nfs/dbraw/zinc/03/32/04/560033204.db2.gz	IDROKAOPXZACHA-LEWJYISDSA-N	0	3	379.504	1.898	40	10	biogenic,in-vitro	GDCBHN
Oc1ccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)cc1O	ZINC000604382029	570353047	/nfs/dbraw/zinc/35/30/47/570353047.db2.gz	ZRTMYJQXCLLCAL-HXUWFJFHSA-N	0	3	395.503	1.869	40	10	biogenic,in-vitro	GDCBHN
CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccccc3[O-])O2)no1	ZINC000085435912	222323743	/nfs/dbraw/zinc/32/37/43/222323743.db2.gz	KIKOXUCWHLCMOJ-FFZOFVMBSA-N	0	3	375.469	1.683	40	10	biogenic,in-vitro	GDCBHN
CN(C)CCNC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000054361038	222013174	/nfs/dbraw/zinc/01/31/74/222013174.db2.gz	IQOKJEMUNPUZOM-ZSOIEALJSA-N	0	3	393.490	1.294	40	10		GDCBHN
Oc1ccccc1CN1CC2(C1)CN(Cc1cccnc1)C[C@H]1C[C@@H](O)CN12	ZINC000514290018	560030622	/nfs/dbraw/zinc/03/06/22/560030622.db2.gz	RFAPLAXLHUJRSU-WOJBJXKFSA-N	0	3	380.492	1.293	40	10	biogenic,in-vitro	GDCBHN
Nc1ccc(CNCCN(Cc2ccc(N)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575421512	570306912	/nfs/dbraw/zinc/30/69/12/570306912.db2.gz	QURDGYMQPFIEGE-HXUWFJFHSA-N	0	3	388.537	1.630	40	10		GDCBHN
CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)c2nccnc21	ZINC000019133264	221398759	/nfs/dbraw/zinc/39/87/59/221398759.db2.gz	ZZWOYSHEMXYXCX-INIZCTEOSA-N	0	3	394.479	1.966	40	10		GDCBHN
CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)c2nccnc21	ZINC000019133264	221398762	/nfs/dbraw/zinc/39/87/62/221398762.db2.gz	ZZWOYSHEMXYXCX-INIZCTEOSA-N	0	3	394.479	1.966	40	10		GDCBHN