smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nnc(C(F)(F)F)[n-]1	ZINC000218021722	531027531	/nfs/dbraw/zinc/02/75/31/531027531.db2.gz	ZBUHXGFZNLEEIM-ZKWXMUAHSA-N	-1	3	378.380	1.488	50	70	biogenic	GDIAHM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nc(C(F)(F)F)n[n-]1	ZINC000218021722	531027533	/nfs/dbraw/zinc/02/75/33/531027533.db2.gz	ZBUHXGFZNLEEIM-ZKWXMUAHSA-N	-1	3	378.380	1.488	50	70	biogenic	GDIAHM
COc1ccc([C@@H](NC(=O)c2[n-]c(=O)nc3ccccc32)C2CC(O)C2)cn1	ZINC000218287495	570330150	/nfs/dbraw/zinc/33/01/50/570330150.db2.gz	JZOHJVFTWSIRNI-QWQCLYJRSA-N	-1	3	380.404	1.569	50	70		GDIAHM
Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cn1	ZINC000218312064	570331195	/nfs/dbraw/zinc/33/11/95/570331195.db2.gz	RTCICQWISQXXNU-RISCZKNCSA-N	-1	3	377.470	1.815	50	70		GDIAHM
NC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218609009	205948614	/nfs/dbraw/zinc/94/86/14/205948614.db2.gz	QAOMAWQEOAYQMN-CYBMUJFWSA-N	-1	3	394.374	1.463	50	70		GDIAHM
O=C(c1cc(-n2cnnn2)ccc1[O-])N1CCCN(Cc2cccnc2)CC1	ZINC000217395080	570315356	/nfs/dbraw/zinc/31/53/56/570315356.db2.gz	UHZMVHGCBBGZSW-UHFFFAOYSA-N	-1	3	379.424	1.111	50	70		GDIAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C1CC(O)C1	ZINC000218661681	570338607	/nfs/dbraw/zinc/33/86/07/570338607.db2.gz	NNZIJGPJSSMJSO-RUXDESIVSA-N	-1	3	384.889	1.437	50	70		GDIAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277414	570329524	/nfs/dbraw/zinc/32/95/24/570329524.db2.gz	KHKINERBVASELL-IINYFYTJSA-N	-1	3	390.465	1.770	50	70		GDIAHM
NC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218609091	570337742	/nfs/dbraw/zinc/33/77/42/570337742.db2.gz	QAOMAWQEOAYQMN-ZDUSSCGKSA-N	-1	3	394.374	1.463	50	70		GDIAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277464	570329380	/nfs/dbraw/zinc/32/93/80/570329380.db2.gz	KHKINERBVASELL-HZMBPMFUSA-N	-1	3	390.465	1.770	50	70		GDIAHM
Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cn1	ZINC000218312162	570331072	/nfs/dbraw/zinc/33/10/72/570331072.db2.gz	RTCICQWISQXXNU-FZMZJTMJSA-N	-1	3	377.470	1.815	50	70		GDIAHM
Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cn1	ZINC000218312109	208834504	/nfs/dbraw/zinc/83/45/04/208834504.db2.gz	RTCICQWISQXXNU-SMDDNHRTSA-N	-1	3	377.470	1.815	50	70		GDIAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccncc1)C1CC(O)C1	ZINC000218661748	570338649	/nfs/dbraw/zinc/33/86/49/570338649.db2.gz	NNZIJGPJSSMJSO-JXQTWKCFSA-N	-1	3	384.889	1.437	50	70		GDIAHM
COc1ccc([C@H](NC(=O)c2[n-]c(=O)nc3ccccc32)C2CC(O)C2)cn1	ZINC000218287542	570330142	/nfs/dbraw/zinc/33/01/42/570330142.db2.gz	JZOHJVFTWSIRNI-FVKWTLKZSA-N	-1	3	380.404	1.569	50	70		GDIAHM
Cn1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1	ZINC000218307173	570330904	/nfs/dbraw/zinc/33/09/04/570330904.db2.gz	LUEVQLWKZTZJOA-YGRLFVJLSA-N	-1	3	377.470	1.815	50	70		GDIAHM
C[C@H]1CN(C(=O)c2c[n-]c3cc(N4CCOCC4)c(F)cc3c2=O)CCN1C	ZINC000216955894	570310218	/nfs/dbraw/zinc/31/02/18/570310218.db2.gz	QORUDNVZPULNHG-ZDUSSCGKSA-N	-1	3	388.443	1.280	50	70		GDIAHM
Cn1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1	ZINC000218307281	570330704	/nfs/dbraw/zinc/33/07/04/570330704.db2.gz	LUEVQLWKZTZJOA-HZMBPMFUSA-N	-1	3	377.470	1.815	50	70		GDIAHM
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21	ZINC000160980297	530556729	/nfs/dbraw/zinc/55/67/29/530556729.db2.gz	ZFBWHJCLDYVQFB-LBPRGKRZSA-N	-1	3	380.853	1.822	50	70		GDIAHM
Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cn1	ZINC000218312009	570331190	/nfs/dbraw/zinc/33/11/90/570331190.db2.gz	RTCICQWISQXXNU-BXUZGUMPSA-N	-1	3	377.470	1.815	50	70		GDIAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277370	570329454	/nfs/dbraw/zinc/32/94/54/570329454.db2.gz	KHKINERBVASELL-YGRLFVJLSA-N	-1	3	390.465	1.770	50	70		GDIAHM
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21	ZINC000160980174	530556718	/nfs/dbraw/zinc/55/67/18/530556718.db2.gz	ZFBWHJCLDYVQFB-GFCCVEGCSA-N	-1	3	380.853	1.822	50	70		GDIAHM
Cn1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1	ZINC000218307119	570330641	/nfs/dbraw/zinc/33/06/41/570330641.db2.gz	LUEVQLWKZTZJOA-QMTHXVAHSA-N	-1	3	377.470	1.815	50	70		GDIAHM
C[C@@H]1CN(C(=O)c2c[n-]c3cc(N4CCOCC4)c(F)cc3c2=O)CCN1C	ZINC000216955875	570310317	/nfs/dbraw/zinc/31/03/17/570310317.db2.gz	QORUDNVZPULNHG-CYBMUJFWSA-N	-1	3	388.443	1.280	50	70		GDIAHM
Cn1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1	ZINC000218307231	570330726	/nfs/dbraw/zinc/33/07/26/570330726.db2.gz	LUEVQLWKZTZJOA-IINYFYTJSA-N	-1	3	377.470	1.815	50	70		GDIAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277282	570329581	/nfs/dbraw/zinc/32/95/81/570329581.db2.gz	KHKINERBVASELL-QMTHXVAHSA-N	-1	3	390.465	1.770	50	70		GDIAHM