smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1=C(OC)C(=[P@@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC	ZINC000073333457	562738211	/nfs/dbraw/zinc/73/82/11/562738211.db2.gz	SZXBFKJYYYMBQY-RWYGWLOXSA-N	0	0	568.562	4.814	1	70		KJIFRN
C=C1C(C(=O)OCC)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1NC(=O)Nc1ccccc1	ZINC000073417202	562738751	/nfs/dbraw/zinc/73/87/51/562738751.db2.gz	VAIHVLMZTMNPID-UHFFFAOYSA-N	0	0	563.594	4.569	1	70		KJIFRN
COC(=O)C1=C(OC)C(=[P@@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC	ZINC000102940685	562813633	/nfs/dbraw/zinc/81/36/33/562813633.db2.gz	SZXBFKJYYYMBQY-VQJSHJPSSA-N	0	0	568.562	4.814	1	70		KJIFRN
NC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12	ZINC000114346570	562828022	/nfs/dbraw/zinc/82/80/22/562828022.db2.gz	LOAVESSHNMDODA-UHFFFAOYSA-N	0	0	581.935	4.924	1	70		KJIFRN
CCCC(=O)O[C@@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl	ZINC000160892432	562849123	/nfs/dbraw/zinc/84/91/23/562849123.db2.gz	MVHMLFUBYIRNJA-GRYCIOLGSA-N	0	0	659.042	4.573	1	70		KJIFRN
COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2O[SiH2]C(C)(C)C)c1	ZINC000195218720	562871566	/nfs/dbraw/zinc/87/15/66/562871566.db2.gz	TUYPNQDBAJGYTO-UHSZJLINSA-N	0	0	501.652	4.562	1	70		KJIFRN
COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)c1	ZINC000195218732	562871561	/nfs/dbraw/zinc/87/15/61/562871561.db2.gz	TUYPNQDBAJGYTO-TYRKEJLSSA-N	0	0	501.652	4.562	1	70		KJIFRN
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)cc1OC	ZINC000195228763	562871567	/nfs/dbraw/zinc/87/15/67/562871567.db2.gz	QUCLOADITGRTDY-DAJTYMAISA-N	0	0	501.652	4.562	1	70		KJIFRN
Cc1cccc(C)c1CNC(=O)c1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc3n[nH]cc3c2)ccc1F	ZINC000217049769	562877491	/nfs/dbraw/zinc/87/74/91/562877491.db2.gz	ISUFLCGFYQDRGM-AREMUKBSSA-N	0	0	526.572	4.515	1	70		KJIFRN
Cc1cccc(C)c1CNC(=O)c1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc3n[nH]cc3c2)ccc1F	ZINC000217049809	562877517	/nfs/dbraw/zinc/87/75/17/562877517.db2.gz	ISUFLCGFYQDRGM-SANMLTNESA-N	0	0	526.572	4.515	1	70		KJIFRN
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)c(F)c1)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000217763704	562877732	/nfs/dbraw/zinc/87/77/32/562877732.db2.gz	MCTNWENDXFZBCU-UHFFFAOYSA-N	0	0	540.016	4.952	1	70		KJIFRN
CC(C)C[C@@H](/C=C/S(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000653900930	562917495	/nfs/dbraw/zinc/91/74/95/562917495.db2.gz	KPVPLBDTSPRLKP-AVPFPNAWSA-N	0	0	668.873	4.733	1	70		KJIFRN