smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[C@@H]2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)C)cc1OC	ZINC000036184617	717125193	/nfs/dbraw/zinc/12/51/93/717125193.db2.gz	YEHNIBYWEVRCKV-QGZVFWFLSA-N	1	0	402.511	3.646	1	5		HHBFRO
COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CC[N+]1(C)C	ZINC000103170572	717146220	/nfs/dbraw/zinc/14/62/20/717146220.db2.gz	XLSTYSKVGRBHPE-ZDUSSCGKSA-O	1	0	421.311	3.774	1	5		HHBFRO
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[N+](CCO)(CCO)CCO)CCC[C@]21C	ZINC000299820476	717181041	/nfs/dbraw/zinc/18/10/41/717181041.db2.gz	CNKIYXHUGDHNGV-KKUQBAQOSA-N	1	0	418.642	3.614	1	5		HHBFRO
COc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)C)cc1OC	ZINC000036184616	717125396	/nfs/dbraw/zinc/12/53/96/717125396.db2.gz	YEHNIBYWEVRCKV-KRWDZBQOSA-N	1	0	402.511	3.646	1	5		HHBFRO
COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N+](C)(C)CC3	ZINC000238762800	717162587	/nfs/dbraw/zinc/16/25/87/717162587.db2.gz	UKCPFYZTMTVAHY-MRXNPFEDSA-N	1	0	400.495	3.626	1	5		HHBFRO
COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N+](C)(C)CC3	ZINC000095913693	291253567	/nfs/dbraw/zinc/25/35/67/291253567.db2.gz	UKCPFYZTMTVAHY-INIZCTEOSA-N	1	0	400.495	3.626	1	5	biogenic,in-vitro	HHBFRO
CCOc1c2c3c(c(OCC)c1OC)-c1cc(CO)c(O)cc1C[C@@H]3[N+](C)(C)CC2	ZINC000059587402	291250083	/nfs/dbraw/zinc/25/00/83/291250083.db2.gz	SLCHKMYHZYNJRS-SFHVURJKSA-O	1	0	414.522	3.587	1	5	biogenic,in-vitro	HHBFRO
CC[C@@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@@H]3[C@H]5O	ZINC000195037261	717157669	/nfs/dbraw/zinc/15/76/69/717157669.db2.gz	JWNJXPKXYBPWQH-WDIBMBQLSA-N	1	0	407.582	3.713	1	5		HHBFRO
CC[C@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@@H]3[C@H]5O	ZINC000195037278	717157610	/nfs/dbraw/zinc/15/76/10/717157610.db2.gz	JWNJXPKXYBPWQH-ZSEFDPPSSA-N	1	0	407.582	3.713	1	5		HHBFRO
CC[C@@H]([NH3+])COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1	ZINC000049112069	581093798	/nfs/dbraw/zinc/09/37/98/581093798.db2.gz	PHJGKALEAVCXAU-CQSZACIVSA-N	1	0	419.485	3.561	1	5		HHBFRO
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC[N+](C)(C)C	ZINC000028477970	717115720	/nfs/dbraw/zinc/11/57/20/717115720.db2.gz	HLRNFCSSCGXPKX-HJWRWDBZSA-N	1	0	402.511	3.976	1	5		HHBFRO
CC[NH+](CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	ZINC000049114091	581095498	/nfs/dbraw/zinc/09/54/98/581095498.db2.gz	OXBFBPQXYBLXFZ-UHFFFAOYSA-N	1	0	413.481	3.763	1	5		HHBFRO
C[N+]1(CCNC(=O)c2cnc3c4c2cccc4-c2ccccc2C3=O)CCCCC1	ZINC000043121797	717128498	/nfs/dbraw/zinc/12/84/98/717128498.db2.gz	RTOJQRGHWSPUAO-UHFFFAOYSA-O	1	0	400.502	3.807	1	5		HHBFRO
C[N+](C)(C)CCC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	ZINC000096258311	717141584	/nfs/dbraw/zinc/14/15/84/717141584.db2.gz	CNYYVKHGPZFTEI-UHFFFAOYSA-O	1	0	414.489	3.517	1	5		HHBFRO
CCCCCCn1c(O)c(C(=O)NCC[N+](CC)(CC)CC)c(=O)c2ccccc21	ZINC000006472167	717104695	/nfs/dbraw/zinc/10/46/95/717104695.db2.gz	XXJLTPMJNSHXQV-UHFFFAOYSA-O	1	0	416.586	3.894	1	5		HHBFRO
COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCc1ccccc1	ZINC000013741641	717109601	/nfs/dbraw/zinc/10/96/01/717109601.db2.gz	AWWUHDMNINVJHM-UHFFFAOYSA-N	1	0	402.511	3.926	1	5		HHBFRO