smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)cc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n(C)c1=O	ZINC000026983643	485322621	/nfs/dbraw/zinc/32/26/21/485322621.db2.gz	NJLJPTNXABHLGL-OAHLLOKOSA-N	1	1	374.441	-0.354	1	0		FBAFMO
Cn1c(=O)cc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n(C)c1=O	ZINC000026983651	485323041	/nfs/dbraw/zinc/32/30/41/485323041.db2.gz	NJLJPTNXABHLGL-HNNXBMFYSA-N	1	1	374.441	-0.354	1	0		FBAFMO
CC(C)[C@H]1C(=O)O[C@@H]2CC[N@H+]3C[C@@H](O)[C@H](COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000033830367	291021930	/nfs/dbraw/zinc/02/19/30/291021930.db2.gz	CYVCLVKKOTUWRC-BDKBQDCFSA-N	1	1	371.430	-0.706	1	0	biogenic,in-vitro	FBAFMO
COC(=N)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2nc[nH+]c(NO)c12	ZINC000034815293	208111538	/nfs/dbraw/zinc/11/15/38/208111538.db2.gz	UMYYGUZQXUGDRS-MVNCPAOLSA-N	1	1	353.335	-0.794	1	0		FBAFMO
CN(C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](F)[C@@H]1O	ZINC000040980130	205086537	/nfs/dbraw/zinc/08/65/37/205086537.db2.gz	NPGZZLCILZSYOC-UNCBZGBMSA-N	1	1	351.386	-0.548	1	0		FBAFMO
COC(=N)c1cn([C@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2nc[nH+]c(NO)c12	ZINC000049019718	205168043	/nfs/dbraw/zinc/16/80/43/205168043.db2.gz	UMYYGUZQXUGDRS-FFXZEABUSA-N	1	1	353.335	-0.794	1	0		FBAFMO
Nc1[nH+]cnc2c1c(/C=C/Br)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049020340	221016937	/nfs/dbraw/zinc/01/69/37/221016937.db2.gz	YYERBORFPOTPMP-KBLGUKGLSA-N	1	1	371.191	-0.009	1	0		FBAFMO
CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](C[NH2+]CCN)[C@H]2OC(C)(C)O[C@@H]12	ZINC000049088914	221019583	/nfs/dbraw/zinc/01/95/83/221019583.db2.gz	DGFFYPGDYTWIMY-KKYDWHDCSA-N	1	1	373.450	-0.720	1	0		FBAFMO
CC(C)CS(=O)(=O)N1C[C@H]2C[C@H](C(=O)N3CC[NH+](C)CC3)[C@@H](C1)O2	ZINC000096083624	222016279	/nfs/dbraw/zinc/01/62/79/222016279.db2.gz	WJABGCVEGQSUKX-QLFBSQMISA-N	1	1	359.492	-0.165	1	0		FBAFMO
Nc1nc2c(c(-c3ccsc3)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)[nH+]1	ZINC000103249484	209250026	/nfs/dbraw/zinc/25/00/26/209250026.db2.gz	BTRRXBJAWDAICP-IDTAVKCVSA-N	1	1	363.399	-0.064	1	0		FBAFMO
[NH3+]CCCC[C@H]([NH3+])c1cn([C@@H](CCC(=O)[O-])C(=O)N2CCNCC2)nn1	ZINC000036386743	205013269	/nfs/dbraw/zinc/01/32/69/205013269.db2.gz	OODKKERUMDHHBO-JSGCOSHPSA-N	1	1	367.454	-0.755	3	0		FBAFMO
O=S1(=O)C[C@H](N2CC[NH+](CCO)CC2)CN1Cc1ccc(F)cc1	ZINC000095600428	209084840	/nfs/dbraw/zinc/08/48/40/209084840.db2.gz	BHHUXYVOLCGFQJ-MRXNPFEDSA-N	1	1	357.451	-0.050	3	0		FBAFMO