smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCc1ccc(NC(=O)[C@H]([NH3+])CO[P@@](=O)([O-])O)cc1	ZINC000036178543	205007931	/nfs/dbraw/zinc/00/79/31/205007931.db2.gz	MYSPJHRAIVKWQS-MRXNPFEDSA-N	0	2	372.402	2.965	1	30		FFEFLN
CCCCCCCCc1ccc(NC(=O)[C@H]([NH3+])CO[P@](=O)([O-])O)cc1	ZINC000036178543	205007934	/nfs/dbraw/zinc/00/79/34/205007934.db2.gz	MYSPJHRAIVKWQS-MRXNPFEDSA-N	0	2	372.402	2.965	1	30		FFEFLN
COC(=O)C(C#N)=C1C(=O)C(C)=C(C)C(O)=C1Sc1cccc(F)c1	ZINC000043523718	208305469	/nfs/dbraw/zinc/30/54/69/208305469.db2.gz	TYCNZUVFGCAOAT-CYBMUJFWSA-N	0	2	359.378	2.973	1	30		FFEFLN
Cc1cc2c(o1)c(O)c1c(c2O)C(=O)C=C2C(CO)=C(C)C(=O)C[C@]12C	ZINC000040952988	208276647	/nfs/dbraw/zinc/27/66/47/208276647.db2.gz	SEIQQHZEVVWEAF-FQEVSTJZSA-N	0	2	354.358	2.814	1	30		FFEFLN
Cc1cc(=O)c2c(cc3c(c2O)C[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)C(C)(C)O3)o1	ZINC000085643190	291064260	/nfs/dbraw/zinc/06/42/60/291064260.db2.gz	NZJXSCHXDLPZSC-RRHAMDBCSA-N	0	2	374.389	2.610	1	30	biogenic,in-vitro	FFEFLN
COC(=O)C(C#N)=C1C(=O)C(C)=C(C)C(O)=C1Sc1cccc(F)c1	ZINC000043523721	208304761	/nfs/dbraw/zinc/30/47/61/208304761.db2.gz	TYCNZUVFGCAOAT-ZDUSSCGKSA-N	0	2	359.378	2.973	1	30		FFEFLN
COc1ccc(C2=NNC(=O)C2=NNc2ccc(Cl)cc2)cc1OC	ZINC000034008497	210170426	/nfs/dbraw/zinc/17/04/26/210170426.db2.gz	UXJPKQXTZFNBHT-UHFFFAOYSA-N	0	2	358.785	2.659	1	30	in-vitro	FFEFLN
COc1ccc(-c2[nH][nH]c(=O)c2N=Nc2ccc(Cl)cc2)cc1OC	ZINC000034008497	210170430	/nfs/dbraw/zinc/17/04/30/210170430.db2.gz	UXJPKQXTZFNBHT-UHFFFAOYSA-N	0	2	358.785	2.659	1	30	in-vitro	FFEFLN
CCCc1ccc2c(c1)[C@@H](C(C#N)C(=O)OCC)C(C(=O)OCC)=C(N)O2	ZINC000029464678	211512179	/nfs/dbraw/zinc/51/21/79/211512179.db2.gz	PILQZIAJJPUYDZ-HOCLYGCPSA-N	0	2	372.421	2.551	1	30		FFEFLN
COC(=O)/C=C/c1ccc2c(c1)/C(=N/O)C(=O)N2Cc1ccc(OC)cc1	ZINC000103230735	222326871	/nfs/dbraw/zinc/32/68/71/222326871.db2.gz	QNJWTIFBDNZENY-PONLHPBNSA-N	0	2	366.373	2.607	1	30		FFEFLN
Cc1cc(=O)c2c(cc3c(c2O)C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)C(C)(C)O3)o1	ZINC000085643193	291064267	/nfs/dbraw/zinc/06/42/67/291064267.db2.gz	NZJXSCHXDLPZSC-CVVUJQAVSA-N	0	2	374.389	2.610	1	30	biogenic,in-vitro	FFEFLN
CCc1cccc2c1/C(=N/O)C(=O)N2Cc1cc(F)cc2c1OCOC2	ZINC000043015786	205099800	/nfs/dbraw/zinc/09/98/00/205099800.db2.gz	YKKKNVLSRMXSME-FXBPSFAMSA-N	0	2	356.353	2.980	1	30		FFEFLN
Cc1ccccc1N1C(=O)c2cc(S(=O)ON)c(Cl)cc2NC1C	ZINC000004475288	136151775	/nfs/dbraw/zinc/15/17/75/136151775.db2.gz	RECBNDOXLFOHMR-CCGUKBGLSA-N	0	2	365.842	2.980	1	30		FFEFLN
COc1ccc(-c2[nH][nH]c(=O)c2N=Nc2ccccc2Cl)cc1OC	ZINC000049089610	208415024	/nfs/dbraw/zinc/41/50/24/208415024.db2.gz	XZIFBCRFTOLLEF-UHFFFAOYSA-N	0	2	358.785	2.659	1	30		FFEFLN
O=C1C=C(NCCc2cc(Cl)c(O)c(Cl)c2)C(=O)c2[nH]cnc21	ZINC000001856835	210373041	/nfs/dbraw/zinc/37/30/41/210373041.db2.gz	UQTPOMIIMHFKQA-UHFFFAOYSA-N	0	2	352.177	2.517	1	30		FFEFLN
O=C1C=C(NCCc2cc(Cl)c(O)c(Cl)c2)C(=O)c2nc[nH]c21	ZINC000001856835	210373046	/nfs/dbraw/zinc/37/30/46/210373046.db2.gz	UQTPOMIIMHFKQA-UHFFFAOYSA-N	0	2	352.177	2.517	1	30		FFEFLN