smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000216802932	569879451	/nfs/dbraw/zinc/87/94/51/569879451.db2.gz	ZGWGGPGIDOLBHH-UHFFFAOYSA-N	1	1	464.975	1.987	40	70		JDIBMO
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1OC	ZINC000216807363	569879505	/nfs/dbraw/zinc/87/95/05/569879505.db2.gz	ANVZHTQPKZBUED-UHFFFAOYSA-N	1	1	490.582	1.351	40	70		JDIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1	ZINC000216829817	569879582	/nfs/dbraw/zinc/87/95/82/569879582.db2.gz	YWMZMSNQPOKPCV-UHFFFAOYSA-N	1	1	486.594	1.876	40	70		JDIBMO
CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216834723	569879683	/nfs/dbraw/zinc/87/96/83/569879683.db2.gz	NRHMSFSSKXVTGE-UHFFFAOYSA-N	1	1	460.556	1.342	40	70		JDIBMO
CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216840408	569879737	/nfs/dbraw/zinc/87/97/37/569879737.db2.gz	YUODLALTXYIGBD-UHFFFAOYSA-N	1	1	458.584	1.896	40	70		JDIBMO
COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc1	ZINC000217353960	569879911	/nfs/dbraw/zinc/87/99/11/569879911.db2.gz	MPSIKNFPTHKSLH-RBUKOAKNSA-N	1	1	478.549	1.556	40	70		JDIBMO
COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802107	569881678	/nfs/dbraw/zinc/88/16/78/569881678.db2.gz	BJZQPCNUIPWTJI-FDGPYGQJSA-N	1	1	451.454	1.420	40	70		JDIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)cc2)CC1	ZINC000216808236	569879485	/nfs/dbraw/zinc/87/94/85/569879485.db2.gz	CSMBKNASZRHDSC-UHFFFAOYSA-N	1	1	458.584	1.517	40	70		JDIBMO
CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216809506	569879545	/nfs/dbraw/zinc/87/95/45/569879545.db2.gz	YHXVPXREWCPBKW-UHFFFAOYSA-N	1	1	474.583	1.732	40	70		JDIBMO
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1OC	ZINC000216816895	569879599	/nfs/dbraw/zinc/87/95/99/569879599.db2.gz	LATOMQCEWRAKPM-MRXNPFEDSA-N	1	1	490.582	1.397	40	70		JDIBMO
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216834170	569879715	/nfs/dbraw/zinc/87/97/15/569879715.db2.gz	CYKIGZOGFISAQR-UHFFFAOYSA-N	1	1	490.582	1.016	40	70		JDIBMO
COc1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(N(C)S(C)(=O)=O)cc1OC	ZINC000216843699	569879733	/nfs/dbraw/zinc/87/97/33/569879733.db2.gz	QHXHHAMANBDUSO-UHFFFAOYSA-N	1	1	490.582	1.740	40	70		JDIBMO
COc1cc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)ccc1O	ZINC000217367163	569879895	/nfs/dbraw/zinc/87/98/95/569879895.db2.gz	CYGAFVNTYRSCPJ-ZWKOTPCHSA-N	1	1	494.548	1.261	40	70		JDIBMO
CN1C(=O)N(C)C(=O)C(Cc2ccsc2)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O	ZINC000217382354	569879901	/nfs/dbraw/zinc/87/99/01/569879901.db2.gz	YNVVPCSYJMWAJB-DLBZAZTESA-N	1	1	454.552	1.608	40	70		JDIBMO
COc1ccccc1CC1(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=O)N(C)C1=O	ZINC000217365011	569879942	/nfs/dbraw/zinc/87/99/42/569879942.db2.gz	UFJWNEVJHFOPFC-PKOBYXMFSA-N	1	1	478.549	1.556	40	70		JDIBMO
COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C)C2=O)c(OC)c1	ZINC000217399366	569879966	/nfs/dbraw/zinc/87/99/66/569879966.db2.gz	IGAUSSOLVQWTTA-HKJSJKENSA-N	1	1	494.548	1.222	40	70		JDIBMO
COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C)C2=O)c(OC)c1	ZINC000217399366	569879967	/nfs/dbraw/zinc/87/99/67/569879967.db2.gz	IGAUSSOLVQWTTA-HKJSJKENSA-N	1	1	494.548	1.222	40	70		JDIBMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216817124	569879568	/nfs/dbraw/zinc/87/95/68/569879568.db2.gz	CVUATYMGIYUEOT-KRWDZBQOSA-N	1	1	474.583	1.697	40	70		JDIBMO
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216815914	569879469	/nfs/dbraw/zinc/87/94/69/569879469.db2.gz	UPGDTJUONOXHES-UHFFFAOYSA-N	1	1	478.546	1.481	40	70		JDIBMO
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216809691	569879497	/nfs/dbraw/zinc/87/94/97/569879497.db2.gz	NPAZTXOAKSFPCN-UHFFFAOYSA-N	1	1	474.583	1.650	40	70		JDIBMO
CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000216812835	569879525	/nfs/dbraw/zinc/87/95/25/569879525.db2.gz	KAPRNXWPTRMMRE-UHFFFAOYSA-N	1	1	462.547	1.863	40	70		JDIBMO
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216817910	569879595	/nfs/dbraw/zinc/87/95/95/569879595.db2.gz	PEFMDTGNUBDJCX-KRWDZBQOSA-N	1	1	474.583	1.778	40	70		JDIBMO
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216837191	569879666	/nfs/dbraw/zinc/87/96/66/569879666.db2.gz	RCPBNXMOWJUNEH-UHFFFAOYSA-N	1	1	474.583	1.650	40	70		JDIBMO
CN(Cc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)o1)S(C)(=O)=O	ZINC000216843570	569879739	/nfs/dbraw/zinc/87/97/39/569879739.db2.gz	WPMOYJIVSBJVQM-ZHACJKMWSA-N	1	1	460.556	1.711	40	70		JDIBMO
COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216843831	569879790	/nfs/dbraw/zinc/87/97/90/569879790.db2.gz	XJPROCIERXKLIX-UHFFFAOYSA-N	1	1	460.556	1.731	40	70		JDIBMO
Cc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)s1	ZINC000217374698	569879924	/nfs/dbraw/zinc/87/99/24/569879924.db2.gz	DWLXKOQMVRJJLM-DLBZAZTESA-N	1	1	468.579	1.917	40	70		JDIBMO
COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C)C2=O)c(OC)c1	ZINC000217399285	569879994	/nfs/dbraw/zinc/87/99/94/569879994.db2.gz	IGAUSSOLVQWTTA-ZTBAGHRESA-N	1	1	494.548	1.222	40	70		JDIBMO
COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C)C2=O)c(OC)c1	ZINC000217399285	569879995	/nfs/dbraw/zinc/87/99/95/569879995.db2.gz	IGAUSSOLVQWTTA-ZTBAGHRESA-N	1	1	494.548	1.222	40	70		JDIBMO
COC(=O)C[C@@]12C(=O)NCC[N@@H+]1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802026	569881651	/nfs/dbraw/zinc/88/16/51/569881651.db2.gz	BJZQPCNUIPWTJI-MTXNFPGFSA-N	1	1	451.454	1.420	40	70		JDIBMO
COC(=O)C[C@@]12C(=O)NCC[N@H+]1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000217802192	569881681	/nfs/dbraw/zinc/88/16/81/569881681.db2.gz	KHUAMRHIACJIPJ-MTXNFPGFSA-N	1	1	451.454	1.420	40	70		JDIBMO
COC(=O)C[C@@]12C(=O)NCC[N@@H+]1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000217802192	569881682	/nfs/dbraw/zinc/88/16/82/569881682.db2.gz	KHUAMRHIACJIPJ-MTXNFPGFSA-N	1	1	451.454	1.420	40	70		JDIBMO
CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cc(F)ccc1OC	ZINC000216816084	569879501	/nfs/dbraw/zinc/87/95/01/569879501.db2.gz	IJGRNFZXWRXZSI-UHFFFAOYSA-N	1	1	492.573	1.871	40	70		JDIBMO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1OC	ZINC000216816854	569879614	/nfs/dbraw/zinc/87/96/14/569879614.db2.gz	LATOMQCEWRAKPM-INIZCTEOSA-N	1	1	490.582	1.397	40	70		JDIBMO
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216815249	569879513	/nfs/dbraw/zinc/87/95/13/569879513.db2.gz	PNRACCWYQTZVLN-UHFFFAOYSA-N	1	1	495.001	1.995	40	70		JDIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216814389	569879521	/nfs/dbraw/zinc/87/95/21/569879521.db2.gz	SBYAXCVUQNLSHN-UHFFFAOYSA-N	1	1	462.547	1.614	40	70		JDIBMO
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216817940	569879566	/nfs/dbraw/zinc/87/95/66/569879566.db2.gz	PEFMDTGNUBDJCX-QGZVFWFLSA-N	1	1	474.583	1.778	40	70		JDIBMO
CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216829502	569879573	/nfs/dbraw/zinc/87/95/73/569879573.db2.gz	TUJKTHGXPUPYMQ-UHFFFAOYSA-N	1	1	474.583	1.778	40	70		JDIBMO
CCOc1ccccc1CC1(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=O)N(C)C1=O	ZINC000217374181	569879908	/nfs/dbraw/zinc/87/99/08/569879908.db2.gz	GMIBECVEMZCFPO-AZUAARDMSA-N	1	1	492.576	1.946	40	70		JDIBMO
CN1C(=O)N(C)C(=O)C(Cc2ccc3c(c2)OCO3)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O	ZINC000217350727	569879932	/nfs/dbraw/zinc/87/99/32/569879932.db2.gz	WQFNWYOGGGSASB-ZWKOTPCHSA-N	1	1	492.532	1.276	40	70		JDIBMO
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216810398	569879471	/nfs/dbraw/zinc/87/94/71/569879471.db2.gz	VSOQNONWGLTBCB-UHFFFAOYSA-N	1	1	495.001	1.995	40	70		JDIBMO
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216806890	569879491	/nfs/dbraw/zinc/87/94/91/569879491.db2.gz	KPBMLLMDGHAYMZ-UHFFFAOYSA-N	1	1	460.556	1.342	40	70		JDIBMO
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216817158	569879611	/nfs/dbraw/zinc/87/96/11/569879611.db2.gz	CVUATYMGIYUEOT-QGZVFWFLSA-N	1	1	474.583	1.697	40	70		JDIBMO
CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216830894	569879640	/nfs/dbraw/zinc/87/96/40/569879640.db2.gz	UEUJXAVNQKMSGL-UHFFFAOYSA-N	1	1	474.583	1.780	40	70		JDIBMO
COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000217802259	569881707	/nfs/dbraw/zinc/88/17/07/569881707.db2.gz	KHUAMRHIACJIPJ-FDGPYGQJSA-N	1	1	451.454	1.420	40	70		JDIBMO
COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000217802259	569881708	/nfs/dbraw/zinc/88/17/08/569881708.db2.gz	KHUAMRHIACJIPJ-FDGPYGQJSA-N	1	1	451.454	1.420	40	70		JDIBMO
CCN(c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O	ZINC000216843299	569879756	/nfs/dbraw/zinc/87/97/56/569879756.db2.gz	CUYGWLIECDYZQT-UHFFFAOYSA-N	1	1	474.583	1.878	40	70		JDIBMO
COc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N(C)C	ZINC000216841692	569879758	/nfs/dbraw/zinc/87/97/58/569879758.db2.gz	VANMQGOMLYGASB-UHFFFAOYSA-N	1	1	460.556	1.585	40	70		JDIBMO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216841783	569879764	/nfs/dbraw/zinc/87/97/64/569879764.db2.gz	WHUHQWQJHAKJGP-UHFFFAOYSA-N	1	1	460.556	1.633	40	70		JDIBMO
COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=S)N(C)C2=O)cc1	ZINC000217387520	569880008	/nfs/dbraw/zinc/88/00/08/569880008.db2.gz	SHUOOWLTCWDLOT-RBUKOAKNSA-N	1	1	494.617	1.720	40	70		JDIBMO