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](OC(=O)NC(=O)c2ccccc2)CO[C@]2(COC(C)(C)O2)[C@@]1(O)[C@@]1(C)CO1	ZINC000003946253	562939710	/nfs/dbraw/zinc/93/97/10/562939710.db2.gz	NQOWZGJHEMTLMB-RLBUUEIYSA-N	0	2	437.445	0.966	1	30		ICEFLN
CO[C@@H]1[C@H](OC(=O)NC(=O)c2ccccc2)CO[C@]2(COC(C)(C)O2)[C@@]1(O)[C@]1(C)CO1	ZINC000013908172	563013974	/nfs/dbraw/zinc/01/39/74/563013974.db2.gz	NQOWZGJHEMTLMB-FTWGMDGFSA-N	0	2	437.445	0.966	1	30		ICEFLN
C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccccc3)cs2)[C@H](O)[C@@H]1O	ZINC000027216391	563041151	/nfs/dbraw/zinc/04/11/51/563041151.db2.gz	KBEZFKLSXCLVNT-JZLHEVAFSA-N	0	2	443.503	0.537	1	30		ICEFLN
Nc1nc(N)c(C(=O)NC(=[NH2+])NCCCCc2ccc(OCC(=O)[O-])cc2)nc1Cl	ZINC000036176070	563091467	/nfs/dbraw/zinc/09/14/67/563091467.db2.gz	GLCZHPOXFBDNLT-UHFFFAOYSA-N	0	2	435.872	0.825	1	30		ICEFLN
Nc1nc(N)c(C(=O)NC(=[NH2+])NCCCCc2ccc(S(=O)(=O)[O-])cc2)nc1Cl	ZINC000036176125	563091495	/nfs/dbraw/zinc/09/14/95/563091495.db2.gz	JVPNJNUDXQTRKL-UHFFFAOYSA-N	0	2	441.901	0.609	1	30		ICEFLN
CC(=O)C1=C([O-])[C@@H]([NH+](C)C)[C@H]2C[C@H]3[C@@H](C(=O)c4c(O)cccc4[C@@]3(C)O)[C@@H](O)[C@]2(O)C1=O	ZINC000058550046	563144464	/nfs/dbraw/zinc/14/44/64/563144464.db2.gz	ZOFNMURYQZLKHZ-SBIMHLCZSA-N	0	2	445.468	0.054	1	30		ICEFLN
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C(N)=[NH+]OC	ZINC000064559907	563156109	/nfs/dbraw/zinc/15/61/09/563156109.db2.gz	CFZMEYJTTWEGFQ-FOGZXTFPSA-N	0	2	432.412	0.926	1	30		ICEFLN
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1C(N)=[NH+]OC	ZINC000064559909	563156093	/nfs/dbraw/zinc/15/60/93/563156093.db2.gz	CFZMEYJTTWEGFQ-PKSOQRGBSA-N	0	2	432.412	0.926	1	30		ICEFLN
CCCCNC(O)=NS(=O)(=O)c1ccc(OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc1	ZINC000095554880	563181209	/nfs/dbraw/zinc/18/12/09/563181209.db2.gz	OHNPPLSPFFEZKL-LBPRGKRZSA-N	0	2	436.399	0.843	1	30		ICEFLN
CCCCNC(O)=NS(=O)(=O)c1ccc(OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc1	ZINC000095554881	563181157	/nfs/dbraw/zinc/18/11/57/563181157.db2.gz	OHNPPLSPFFEZKL-GFCCVEGCSA-N	0	2	436.399	0.843	1	30		ICEFLN
C[C@@H](O)[C@H]([NH3+])C(=O)[N-]S(=O)(=O)N1CCc2ccc(-c3ncnc4[nH]ccc43)cc2C1	ZINC000095596677	563191602	/nfs/dbraw/zinc/19/16/02/563191602.db2.gz	TWJQKFNJORCUQW-BZNIZROVSA-N	0	2	430.490	0.892	1	30		ICEFLN