smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1noc(-c2c([N-]C(=O)c3cnn(-c4ccccc4)n3)sc3c2CCOC3)n1	ZINC000217962787	568921303	/nfs/dbraw/zinc/92/13/03/568921303.db2.gz	VOOHLGQZPVZKIP-UHFFFAOYSA-N	-1	3	408.443	3.012	50	70		HGIAHM
COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218120848	568926138	/nfs/dbraw/zinc/92/61/38/568926138.db2.gz	CQYDTCINLMRQQT-HNNXBMFYSA-N	-1	3	407.413	3.305	50	70		HGIAHM
COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCCCCC2)c(OC)c1OC	ZINC000218491880	568480986	/nfs/dbraw/zinc/48/09/86/568480986.db2.gz	KQIAOMNZZAFXIM-OAHLLOKOSA-N	-1	3	418.519	3.488	50	70		HGIAHM
COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCCCCC2)c(OC)c1OC	ZINC000218491804	568481016	/nfs/dbraw/zinc/48/10/16/568481016.db2.gz	KQIAOMNZZAFXIM-HNNXBMFYSA-N	-1	3	418.519	3.488	50	70		HGIAHM
COc1cc(OC)c(OC)c([C@@H](c2sc3ncnn3c2[O-])N2CCCCCC2)c1	ZINC000218449356	568933188	/nfs/dbraw/zinc/93/31/88/568933188.db2.gz	HWJFGJUFJCSFDC-INIZCTEOSA-N	-1	3	418.519	3.488	50	70		HGIAHM
COc1ccc2[n-]cc(C(=O)N[C@@H](CCSC)c3nnc4ccccn43)c(=O)c2c1	ZINC000218125415	568475264	/nfs/dbraw/zinc/47/52/64/568475264.db2.gz	JSKMNKLRZAZDFW-KRWDZBQOSA-N	-1	3	423.498	3.216	50	70		HGIAHM
COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H](CCSC)c1nnc3ccccn31)c2=O	ZINC000218326982	568478489	/nfs/dbraw/zinc/47/84/89/568478489.db2.gz	VQOSELJRTGQWKJ-INIZCTEOSA-N	-1	3	423.498	3.216	50	70		HGIAHM
COc1cc(OC)c(OC)c([C@H](c2sc3ncnn3c2[O-])N2CCCCCC2)c1	ZINC000218449431	568933159	/nfs/dbraw/zinc/93/31/59/568933159.db2.gz	HWJFGJUFJCSFDC-MRXNPFEDSA-N	-1	3	418.519	3.488	50	70		HGIAHM
COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCCCC2)c(OC)c1OC	ZINC000218607024	568482388	/nfs/dbraw/zinc/48/23/88/568482388.db2.gz	MOORAAHWKSACEE-CQSZACIVSA-N	-1	3	404.492	3.098	50	70		HGIAHM
CSCC[C@H](NC(=O)c1c[n-]c2c(F)cccc2c1=O)c1nnc2ccccn21	ZINC000218325529	568478504	/nfs/dbraw/zinc/47/85/04/568478504.db2.gz	PBPSMMDOWUXIFV-HNNXBMFYSA-N	-1	3	411.462	3.346	50	70		HGIAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2F)CCO1	ZINC000218190749	568476200	/nfs/dbraw/zinc/47/62/00/568476200.db2.gz	HDUABQUIAWIRSY-BDJLRTHQSA-N	-1	3	409.458	3.359	50	70		HGIAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2F)CCO1	ZINC000218190881	568476205	/nfs/dbraw/zinc/47/62/05/568476205.db2.gz	HDUABQUIAWIRSY-MEDUHNTESA-N	-1	3	409.458	3.359	50	70		HGIAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)cc2F)CCO1	ZINC000218190828	568476117	/nfs/dbraw/zinc/47/61/17/568476117.db2.gz	HDUABQUIAWIRSY-BZNIZROVSA-N	-1	3	409.458	3.359	50	70		HGIAHM
CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)[n-]n3)cc2c1=O	ZINC000218483351	568481032	/nfs/dbraw/zinc/48/10/32/568481032.db2.gz	TWJIQPFLYAHAPD-UHFFFAOYSA-N	-1	3	402.458	3.480	50	70		HGIAHM
COc1cccc2c(=O)c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c[n-]c12	ZINC000218419335	568480115	/nfs/dbraw/zinc/48/01/15/568480115.db2.gz	YMNDWHHRZSWRHV-UHFFFAOYSA-N	-1	3	401.463	3.078	50	70		HGIAHM
COc1cccc2c(=O)c(C(=O)N[C@@H](CCSC)c3nnc4ccccn43)c[n-]c12	ZINC000218269269	568477199	/nfs/dbraw/zinc/47/71/99/568477199.db2.gz	URJRPMIGJXNTFH-HNNXBMFYSA-N	-1	3	423.498	3.216	50	70		HGIAHM
CSCC[C@H](NC(=O)c1c[n-]c2ccc(F)cc2c1=O)c1nnc2ccccn21	ZINC000218287991	568477646	/nfs/dbraw/zinc/47/76/46/568477646.db2.gz	KJZGVZGJNJNXQK-INIZCTEOSA-N	-1	3	411.462	3.346	50	70		HGIAHM
COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCCCC2)c(OC)c1OC	ZINC000218606963	568482401	/nfs/dbraw/zinc/48/24/01/568482401.db2.gz	MOORAAHWKSACEE-AWEZNQCLSA-N	-1	3	404.492	3.098	50	70		HGIAHM
COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218120763	568926076	/nfs/dbraw/zinc/92/60/76/568926076.db2.gz	CQYDTCINLMRQQT-OAHLLOKOSA-N	-1	3	407.413	3.305	50	70		HGIAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)cc2F)CCO1	ZINC000218190953	568476113	/nfs/dbraw/zinc/47/61/13/568476113.db2.gz	HDUABQUIAWIRSY-ZBEGNZNMSA-N	-1	3	409.458	3.359	50	70		HGIAHM
O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1cnn(CC2CCOCC2)c1	ZINC000218246693	568836924	/nfs/dbraw/zinc/83/69/24/568836924.db2.gz	WZRVRJUCHWQHSM-UHFFFAOYSA-N	-1	3	403.426	3.270	50	70		HGIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000217881301	568474229	/nfs/dbraw/zinc/47/42/29/568474229.db2.gz	OPYPELMCJNBQBR-UHFFFAOYSA-N	-1	3	422.510	3.079	50	70	biogenic	HGIAHM