smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1[C@H]([NH3+])C[C@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)O[C@H]1C	ZINC000040449385	563143937	/nfs/dbraw/zinc/14/39/37/563143937.db2.gz	ZULKPJPEZLVCOR-SNMDBMRCSA-N	0	3	499.516	1.078	1	10		JDCFHN
C[C@@H]1C[C@@H]([NH3+])C[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)O1	ZINC000026401969	563027550	/nfs/dbraw/zinc/02/75/50/563027550.db2.gz	OZMMQKBQOXUEIA-QJNUEAFASA-N	0	3	469.490	1.453	1	10		JDCFHN
COc1cc2c3c(n(CCCN(CCO)CCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027647152	563048458	/nfs/dbraw/zinc/04/84/58/563048458.db2.gz	TZBZOIYAGFOESZ-UHFFFAOYSA-N	0	3	496.516	1.636	1	10		JDCFHN
CN1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)CC1	ZINC000035902789	563121145	/nfs/dbraw/zinc/12/11/45/563121145.db2.gz	IQRCWLVEXOZZDI-HSZRJFAPSA-N	0	3	463.561	1.884	1	10		JDCFHN
C[C@@H]1C[C@@H]([NH3+])C[C@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)O1	ZINC000040449379	563143891	/nfs/dbraw/zinc/14/38/91/563143891.db2.gz	OZMMQKBQOXUEIA-MIKJQFDLSA-N	0	3	469.490	1.453	1	10		JDCFHN
CO[C@@H]1[C@H]([NH3+])C[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)O[C@@H]1C	ZINC000058558802	563207332	/nfs/dbraw/zinc/20/73/32/563207332.db2.gz	ZULKPJPEZLVCOR-QVCAYRSLSA-N	0	3	499.516	1.078	1	10		JDCFHN
CN(C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000031895982	563108836	/nfs/dbraw/zinc/10/88/36/563108836.db2.gz	CGDAZLQATRHGFV-LJQANCHMSA-N	0	3	465.558	1.808	1	10		JDCFHN
CC[C@@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O	ZINC000038515823	563134957	/nfs/dbraw/zinc/13/49/57/563134957.db2.gz	JPRDSFLACQEODI-KJGYGXMTSA-N	0	3	483.517	1.841	1	10		JDCFHN
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(N2CCCN(CCO)CC2)c1=O	ZINC000045336030	563190180	/nfs/dbraw/zinc/19/01/80/563190180.db2.gz	JWKNHXGJPRWPMQ-UHFFFAOYSA-N	0	3	482.585	1.793	1	10		JDCFHN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([O-])c(C[NH+]4CCN(C)CC4)c2cc1C3	ZINC000022442740	563016954	/nfs/dbraw/zinc/01/69/54/563016954.db2.gz	KWZZLDXIKMLRPZ-SANMLTNESA-N	0	3	476.533	1.533	1	10		JDCFHN
C[C@@H]1C[C@H]([NH3+])C[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)O1	ZINC000026401976	563027545	/nfs/dbraw/zinc/02/75/45/563027545.db2.gz	OZMMQKBQOXUEIA-DLNQBRFUSA-N	0	3	469.490	1.453	1	10		JDCFHN
C[C@@H]1O[C@@H](O[C@H]2C[C@@](C)(O)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000026473258	563028052	/nfs/dbraw/zinc/02/80/52/563028052.db2.gz	YGHVQAYXNMXMOY-QIGZZCGOSA-N	0	3	469.490	1.451	1	10		JDCFHN
CO[C@@H]1[C@H]([NH3+])C[C@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)O[C@@H]1C	ZINC000040449383	563143918	/nfs/dbraw/zinc/14/39/18/563143918.db2.gz	ZULKPJPEZLVCOR-MJEXAHNBSA-N	0	3	499.516	1.078	1	10		JDCFHN
C[C@@H]1C[C@H]([NH3+])C[C@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)O1	ZINC000040449375	563143928	/nfs/dbraw/zinc/14/39/28/563143928.db2.gz	OZMMQKBQOXUEIA-CCEIVIBDSA-N	0	3	469.490	1.453	1	10		JDCFHN
CN(C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005848645	562935524	/nfs/dbraw/zinc/93/55/24/562935524.db2.gz	CGDAZLQATRHGFV-IBGZPJMESA-N	0	3	465.558	1.808	1	10		JDCFHN
C[C@@H]1O[C@@H](O[C@H]2C[C@@](C)(O)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@H]1O	ZINC000040454200	563144044	/nfs/dbraw/zinc/14/40/44/563144044.db2.gz	YGHVQAYXNMXMOY-CHTWJKPESA-N	0	3	469.490	1.451	1	10		JDCFHN