smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H]1[C@@H](O)[N+]2(C[C@H](O)C[NH+](CC)CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@@H]3[C@H]5O	ZINC000056898793	717130469	/nfs/dbraw/zinc/13/04/69/717130469.db2.gz	IXLGLCQSNUMEGQ-NBWJMYHCSA-N	2	0	456.651	1.772	1	5	in-man	JDBFRP
CC[C@@H]1[C@@H](O)[N@+]2(C[C@@H](O)C[NH+](CC)CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@H]5O	ZINC000936069717	717195232	/nfs/dbraw/zinc/19/52/32/717195232.db2.gz	IXLGLCQSNUMEGQ-NTNKOQFASA-N	2	0	456.651	1.772	1	5	in-man	JDBFRP
CC[C@@H]1[C@@H](O)[N@+]2(C[C@H](O)C[NH+](CC)CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@H]5O	ZINC000936069718	717195261	/nfs/dbraw/zinc/19/52/61/717195261.db2.gz	IXLGLCQSNUMEGQ-SQUJODMJSA-N	2	0	456.651	1.772	1	5	in-man	JDBFRP
C[NH+](C)CCn1nc2c3c1ccc1c(=O)n(CC[NH+](C)C)c(=O)n(c31)-c1ccc([N+](=O)[O-])cc1-2	ZINC000003842819	562929640	/nfs/dbraw/zinc/92/96/40/562929640.db2.gz	MZPDKSMUCXBFFA-UHFFFAOYSA-N	2	0	463.498	1.514	1	5		JDBFRP
CC[C@@H]1[C@@H](O)[N@+]2(C[C@@H](O)C[NH+](CC)CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000941246335	717195175	/nfs/dbraw/zinc/19/51/75/717195175.db2.gz	IXLGLCQSNUMEGQ-PZXGFOGHSA-N	2	0	456.651	1.772	1	5		JDBFRP
CC[C@@H]1[C@@H](O)[N@+]2(C[C@H](O)C[NH+](CC)CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000941246334	717195322	/nfs/dbraw/zinc/19/53/22/717195322.db2.gz	IXLGLCQSNUMEGQ-OLERZNBPSA-N	2	0	456.651	1.772	1	5		JDBFRP
CC[N+](C)(CC)Cn1c(=O)c2ccc3c(=O)n(C[N+](C)(CC)CC)c(=O)c4ccc(c1=O)c2c34	ZINC000072108166	717133541	/nfs/dbraw/zinc/13/35/41/717133541.db2.gz	BNEHHRDLOWGFMQ-UHFFFAOYSA-N	2	0	466.582	1.953	1	5		JDBFRP
Cc1cc(=O)oc2c(C)c3oc4c(c3cc12)c(C(=O)NCC[NH+](C)C)nnc4C(=O)NCC[NH+](C)C	ZINC000058541205	563207167	/nfs/dbraw/zinc/20/71/67/563207167.db2.gz	CWJQUUKOBYVWOH-UHFFFAOYSA-N	2	0	494.552	1.682	1	5		JDBFRP
CC[C@@H]1[C@@H](O)[N+]2(C[C@H](O)C[NH+](CC)CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@H]5O	ZINC000100524600	717143606	/nfs/dbraw/zinc/14/36/06/717143606.db2.gz	IXLGLCQSNUMEGQ-CQTFLWJESA-N	2	0	456.651	1.772	1	5	in-man	JDBFRP
COc1ccc2c(c1)c(=O)c1c(NCC[NH+](C)C)ccc3c(=O)n(CC[NH+](C)C)c(=O)n2c31	ZINC000005581653	562934322	/nfs/dbraw/zinc/93/43/22/562934322.db2.gz	BUBDQXPKYYLUQB-UHFFFAOYSA-N	2	0	451.527	1.109	1	5		JDBFRP
C[NH+](C)CCNc1ccc2c(=O)n(CC[NH+](C)C)c(=O)n3c4ccc([N+](=O)[O-])cc4c(=O)c1c23	ZINC000005582480	562934356	/nfs/dbraw/zinc/93/43/56/562934356.db2.gz	UAPCXYAZNSSWPA-UHFFFAOYSA-N	2	0	466.498	1.009	1	5		JDBFRP