smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(CC(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC001264072271 1059515250 /nfs/dbraw/zinc/51/52/50/1059515250.db2.gz HUXLPNMQUKAXBI-UHFFFAOYSA-N 0 2 450.471 2.917 20 0 JFADLN COc1ccc(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cc1-n1nnnc1C1CC1 ZINC001265980736 1059952678 /nfs/dbraw/zinc/95/26/78/1059952678.db2.gz UFULIEAKTRRULG-UHFFFAOYSA-N 0 2 450.377 2.572 20 0 JFADLN C[C@@]1(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)Cc2ccccc2C(=O)O1 ZINC001279303853 1059982450 /nfs/dbraw/zinc/98/24/50/1059982450.db2.gz VYCZOOMINVVYBC-BNLOLNQZSA-N 0 2 452.351 2.759 20 0 JFADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCCNC(=O)C(C)(C)C)ccc2F)cc1 ZINC001294155494 1061638880 /nfs/dbraw/zinc/63/88/80/1061638880.db2.gz FVTWUARQNRFUEZ-UHFFFAOYSA-N 0 2 451.520 2.527 20 0 JFADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 ZINC001290637603 1062520538 /nfs/dbraw/zinc/52/05/38/1062520538.db2.gz UJQWMUDQYIIMHS-UHFFFAOYSA-N 0 2 458.565 2.914 20 0 JFADLN CCCNC(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001294849853 1062550581 /nfs/dbraw/zinc/55/05/81/1062550581.db2.gz OUSJCPDELUVBRS-UHFFFAOYSA-N 0 2 452.544 2.603 20 0 JFADLN CCOC(=O)c1cnn(-c2cccc(NC(=O)CC3SC(=N)NC3=O)c2)c1C(F)(F)F ZINC001290791850 1062696326 /nfs/dbraw/zinc/69/63/26/1062696326.db2.gz CXTGXUZYNSZLEH-GFCCVEGCSA-N 0 2 455.418 2.563 20 0 JFADLN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001287531740 1062966804 /nfs/dbraw/zinc/96/68/04/1062966804.db2.gz KSIZRZJWOKXIAQ-UHFFFAOYSA-N 0 2 457.380 2.811 20 0 JFADLN O=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2cccc(F)n2)cc1 ZINC001295327721 1063225874 /nfs/dbraw/zinc/22/58/74/1063225874.db2.gz GXFPKTRXEYKLOY-KRWDZBQOSA-N 0 2 455.515 2.573 20 0 JFADLN O=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2cccc(F)n2)cc1 ZINC001295327722 1063226071 /nfs/dbraw/zinc/22/60/71/1063226071.db2.gz GXFPKTRXEYKLOY-QGZVFWFLSA-N 0 2 455.515 2.573 20 0 JFADLN COc1cccc(OCC[NH+]2CCN(C(=O)c3nn(-c4cc(C)ccc4F)cc3[O-])CC2)c1 ZINC001295382654 1063355434 /nfs/dbraw/zinc/35/54/34/1063355434.db2.gz LJXXECRBJIVGBH-UHFFFAOYSA-N 0 2 454.502 2.871 20 0 JFADLN CCN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2ccccc2OC)n1CCC(=O)NC ZINC001295670334 1063710267 /nfs/dbraw/zinc/71/02/67/1063710267.db2.gz DTSKOEMBGDYHCR-UHFFFAOYSA-N 0 2 467.555 2.827 20 0 JFADLN COc1cccc(-c2cc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)n(C)n2)c1 ZINC001295863694 1063895581 /nfs/dbraw/zinc/89/55/81/1063895581.db2.gz USAWGBRQRAKAOL-UHFFFAOYSA-N 0 2 456.524 2.838 20 0 JFADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)cc2[nH]c1=S ZINC001295952178 1064004449 /nfs/dbraw/zinc/00/44/49/1064004449.db2.gz ABIHSZHRIFRMQW-DJIMGWMZSA-N 0 2 451.639 2.831 20 0 JFADLN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3O)C2)CC1 ZINC001291885382 1064506108 /nfs/dbraw/zinc/50/61/08/1064506108.db2.gz DSZMMIWVXZTKRM-OAHLLOKOSA-N 0 2 451.951 2.977 20 0 JFADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2cn(C)nc2-c2ccccc2)cn1 ZINC001296262208 1064528513 /nfs/dbraw/zinc/52/85/13/1064528513.db2.gz MJBUHWMNRZGWDF-UHFFFAOYSA-N 0 2 456.553 2.613 20 0 JFADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001294227616 1061741562 /nfs/dbraw/zinc/74/15/62/1061741562.db2.gz YKGBNNOYSGXJAE-INIZCTEOSA-N 0 2 456.549 2.931 20 0 JFADLN CCOC(=O)c1cnn(-c2cccc(NC(=O)CC3SC(=N)NC3=O)c2)c1C(F)(F)F ZINC001290791851 1062696362 /nfs/dbraw/zinc/69/63/62/1062696362.db2.gz CXTGXUZYNSZLEH-LBPRGKRZSA-N 0 2 455.418 2.563 20 0 JFADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1nc(F)ccc1Br ZINC001295155024 1062976918 /nfs/dbraw/zinc/97/69/18/1062976918.db2.gz ODNLOFNUBWNCDC-UHFFFAOYSA-N 0 2 458.294 2.888 20 0 JFADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ncccc1OCC(F)(F)F ZINC001295155731 1062977992 /nfs/dbraw/zinc/97/79/92/1062977992.db2.gz SGMNZLLMWYRLPQ-UHFFFAOYSA-N 0 2 459.431 2.927 20 0 JFADLN CC(C)[C@H]1CN(C(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CCO1 ZINC001295641410 1063683824 /nfs/dbraw/zinc/68/38/24/1063683824.db2.gz LPBCZOASUHWUBA-RTBURBONSA-N 0 2 458.584 2.606 20 0 JFADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001296034971 1064093514 /nfs/dbraw/zinc/09/35/14/1064093514.db2.gz CQBSIYLTMYIVCC-SFHVURJKSA-N 0 2 459.275 2.793 20 0 JFADLN CN(C(=O)CN1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1)C1CCCCC1 ZINC001292856960 1065577385 /nfs/dbraw/zinc/57/73/85/1065577385.db2.gz MMPXRMFJTPBISL-UHFFFAOYSA-N 0 2 456.356 2.843 20 0 JFADLN C[S@@](=O)Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1Cl ZINC001293475401 1066018855 /nfs/dbraw/zinc/01/88/55/1066018855.db2.gz QEGWUYXVGBROGX-MUUNZHRXSA-N 0 2 456.973 2.961 20 0 JFADLN C[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)Cn1cc[nH+]c1 ZINC001293777091 1066271163 /nfs/dbraw/zinc/27/11/63/1066271163.db2.gz MIUKBYFZETWXCD-INIZCTEOSA-N 0 2 456.524 2.521 20 0 JFADLN C[C@H]1C(=O)Nc2cc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)ccc2N1C ZINC001294226840 1061739894 /nfs/dbraw/zinc/73/98/94/1061739894.db2.gz ISRJNIVDNRWWMR-LBPRGKRZSA-N 0 2 457.537 2.973 20 0 JFADLN CN(Cc1nccs1)C(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1 ZINC001294454637 1062000831 /nfs/dbraw/zinc/00/08/31/1062000831.db2.gz GHBWWHBWGNJNFZ-INIZCTEOSA-N 0 2 457.581 2.838 20 0 JFADLN CC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)[C@@H](C)C1 ZINC001294606142 1062115389 /nfs/dbraw/zinc/11/53/89/1062115389.db2.gz TUKZWTSMWAGYEG-INIZCTEOSA-N 0 2 450.564 2.621 20 0 JFADLN COc1cccc([C@@H](CNC(=O)C[C@H]2SC(=N)NC2=O)c2c[nH]c3ccccc32)c1OC ZINC001290541275 1062341339 /nfs/dbraw/zinc/34/13/39/1062341339.db2.gz NTYIQFUWSNCTNC-VQIMIIECSA-N 0 2 452.536 2.990 20 0 JFADLN CN(C)C(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1Cl ZINC001290771184 1062688599 /nfs/dbraw/zinc/68/85/99/1062688599.db2.gz LPRWWYYHKHDKAQ-UHFFFAOYSA-N 0 2 451.932 2.784 20 0 JFADLN C[C@H](C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001287531463 1062966901 /nfs/dbraw/zinc/96/69/01/1062966901.db2.gz HSSSKAFIJOLIRK-SNVBAGLBSA-N 0 2 450.385 2.944 20 0 JFADLN CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296135479 1064239627 /nfs/dbraw/zinc/23/96/27/1064239627.db2.gz ZCNHNMFPBAIVRV-OAQYLSRUSA-N 0 2 485.677 2.542 20 0 JFADLN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2O)cc1Cl ZINC001291800651 1064311942 /nfs/dbraw/zinc/31/19/42/1064311942.db2.gz UREBXBWWOWCLLE-GFCCVEGCSA-N 0 2 451.932 2.960 20 0 JFADLN O=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001296229717 1064463584 /nfs/dbraw/zinc/46/35/84/1064463584.db2.gz CAAWIDWOIOMGDY-UHFFFAOYSA-N 0 2 459.300 2.712 20 0 JFADLN COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(C)cc1 ZINC001293155419 1065795705 /nfs/dbraw/zinc/79/57/05/1065795705.db2.gz VZYUQDGMUDAEBK-SFHVURJKSA-N 0 2 459.549 2.939 20 0 JFADLN CCOc1cc(CNC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)ccc1OC ZINC001293526774 1066047857 /nfs/dbraw/zinc/04/78/57/1066047857.db2.gz XADWTWJOZFISSO-UHFFFAOYSA-N 0 2 450.542 2.620 20 0 JFADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccn(C4CCOCC4)n3)cc2)nc(C)n1 ZINC001264072770 1059515906 /nfs/dbraw/zinc/51/59/06/1059515906.db2.gz UZZUJYXNCPMKOF-UHFFFAOYSA-N 0 2 456.528 2.695 20 0 JFADLN CN(CCCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(=O)c1ccncc1 ZINC001294226576 1061739737 /nfs/dbraw/zinc/73/97/37/1061739737.db2.gz CTQPNFHMZUEGNJ-UHFFFAOYSA-N 0 2 459.553 2.830 20 0 JFADLN CC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)[C@H](C)C1 ZINC001294606143 1062116643 /nfs/dbraw/zinc/11/66/43/1062116643.db2.gz TUKZWTSMWAGYEG-MRXNPFEDSA-N 0 2 450.564 2.621 20 0 JFADLN Cn1cnc(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)n1 ZINC001290936582 1062811556 /nfs/dbraw/zinc/81/15/56/1062811556.db2.gz JVDSOEVDDMMOSG-UHFFFAOYSA-N 0 2 454.281 2.770 20 0 JFADLN CCN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2cccn2C)n1C[C@H](COC)OC ZINC001295670631 1063711257 /nfs/dbraw/zinc/71/12/57/1063711257.db2.gz GPCQPSOPAFZFAH-CQSZACIVSA-N 0 2 457.560 2.682 20 0 JFADLN CCN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2ccccn2)n1CC(C)(C)C(=O)NC ZINC001295670723 1063711549 /nfs/dbraw/zinc/71/15/49/1063711549.db2.gz IHVZBQWQXPHOBH-UHFFFAOYSA-N 0 2 466.571 2.849 20 0 JFADLN CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001296003696 1064059418 /nfs/dbraw/zinc/05/94/18/1064059418.db2.gz GQTADICFDJYTEQ-HXUWFJFHSA-N 0 2 450.564 2.669 20 0 JFADLN CCn1c(=O)c2ccc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2[nH]c1=S ZINC001296006061 1064060466 /nfs/dbraw/zinc/06/04/66/1064060466.db2.gz KPFKIAIRCKCNRB-LJQANCHMSA-N 0 2 450.520 2.701 20 0 JFADLN CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001296149568 1064261261 /nfs/dbraw/zinc/26/12/61/1064261261.db2.gz JYTMCTRVNCFUSC-KRWDZBQOSA-N 0 2 452.559 2.945 20 0 JFADLN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(Br)nc(Br)c1 ZINC001293324959 1065949467 /nfs/dbraw/zinc/94/94/67/1065949467.db2.gz MQHQAZVGVCRMEF-UHFFFAOYSA-N 0 2 455.110 2.902 20 0 JFADLN C[C@]1(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)Cc2ccccc2C(=O)O1 ZINC001279303854 1059982402 /nfs/dbraw/zinc/98/24/02/1059982402.db2.gz VYCZOOMINVVYBC-PLQHRBFRSA-N 0 2 452.351 2.759 20 0 JFADLN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C3=NN(c4ccc(Cl)cc4)CC3=O)C2=O)c1 ZINC001294463343 1062013856 /nfs/dbraw/zinc/01/38/56/1062013856.db2.gz NJQLMXGEIFBPSP-GOSISDBHSA-N 0 2 456.886 2.784 20 0 JFADLN COC(=O)Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)c1 ZINC001294563901 1062080673 /nfs/dbraw/zinc/08/06/73/1062080673.db2.gz NCIABZMVCWQFRB-UHFFFAOYSA-N 0 2 454.504 2.839 20 0 JFADLN COc1cccc([C@H](CNC(=O)C[C@@H]2SC(=N)NC2=O)c2c[nH]c3ccccc32)c1OC ZINC001290541272 1062341670 /nfs/dbraw/zinc/34/16/70/1062341670.db2.gz NTYIQFUWSNCTNC-LPHOPBHVSA-N 0 2 452.536 2.990 20 0 JFADLN CCC1(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CCOCC1 ZINC001295098100 1062929546 /nfs/dbraw/zinc/92/95/46/1062929546.db2.gz KNNXMZXLBKHOSF-GOSISDBHSA-N 0 2 458.584 2.798 20 0 JFADLN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001287531443 1062966584 /nfs/dbraw/zinc/96/65/84/1062966584.db2.gz GUFBMTXQDKVJMA-QGZVFWFLSA-N 0 2 450.396 2.722 20 0 JFADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)=N1 ZINC001296004593 1064060060 /nfs/dbraw/zinc/06/00/60/1064060060.db2.gz XAFZEJLDWLJVCJ-UHFFFAOYSA-N 0 2 455.465 2.561 20 0 JFADLN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC001296101214 1064175202 /nfs/dbraw/zinc/17/52/02/1064175202.db2.gz HLJBZSNTJXEHEJ-OAQYLSRUSA-N 0 2 459.528 2.588 20 0 JFADLN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001296179296 1064308364 /nfs/dbraw/zinc/30/83/64/1064308364.db2.gz LWUSSNILWFICHL-UHFFFAOYSA-N 0 2 454.537 2.702 20 0 JFADLN CCOC(=O)CN(C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)C1CC1 ZINC001292176351 1064966835 /nfs/dbraw/zinc/96/68/35/1064966835.db2.gz MDZJROOATMKNPU-UHFFFAOYSA-N 0 2 450.488 2.803 20 0 JFADLN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766297 721277556 /nfs/dbraw/zinc/27/75/56/721277556.db2.gz BZCJRFNYEYFCSG-LBPRGKRZSA-N 0 2 450.833 2.680 20 0 JFADLN CN(Cc1nccs1)C(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1 ZINC001294454638 1062000752 /nfs/dbraw/zinc/00/07/52/1062000752.db2.gz GHBWWHBWGNJNFZ-MRXNPFEDSA-N 0 2 457.581 2.838 20 0 JFADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCN(CC(=O)N4CCCC[C@H]4C)CC3)=N2)cc1 ZINC001290686947 1062604042 /nfs/dbraw/zinc/60/40/42/1062604042.db2.gz DQOIMUHMUHTECR-LJQANCHMSA-N 0 2 453.587 2.860 20 0 JFADLN CN(C(=O)CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)C1CCCCC1 ZINC001295055893 1062860487 /nfs/dbraw/zinc/86/04/87/1062860487.db2.gz IDFSVAQDSPWPLE-UHFFFAOYSA-N 0 2 454.552 2.847 20 0 JFADLN C[C@@H](C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001287531462 1062966857 /nfs/dbraw/zinc/96/68/57/1062966857.db2.gz HSSSKAFIJOLIRK-JTQLQIEISA-N 0 2 450.385 2.944 20 0 JFADLN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)n1ccc2ccccc2c1=O ZINC001295153145 1062974650 /nfs/dbraw/zinc/97/46/50/1062974650.db2.gz GFKJRDYSKCVEGV-ZDUSSCGKSA-N 0 2 455.521 2.854 20 0 JFADLN CCc1nn(C)cc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1 ZINC001295804369 1063794326 /nfs/dbraw/zinc/79/43/26/1063794326.db2.gz RWDHZPXEIKPPJT-GOSISDBHSA-N 0 2 454.556 2.657 20 0 JFADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001296034968 1064093581 /nfs/dbraw/zinc/09/35/81/1064093581.db2.gz CQBSIYLTMYIVCC-GOSISDBHSA-N 0 2 459.275 2.793 20 0 JFADLN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)C[C@@H]2SC(=N)NC2=O)cc1 ZINC001291567224 1064095111 /nfs/dbraw/zinc/09/51/11/1064095111.db2.gz JPPDXEXJUVJDQZ-IBGZPJMESA-N 0 2 454.552 2.965 20 0 JFADLN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)C[C@H]2SC(=N)NC2=O)cc1 ZINC001291567225 1064095143 /nfs/dbraw/zinc/09/51/43/1064095143.db2.gz JPPDXEXJUVJDQZ-LJQANCHMSA-N 0 2 454.552 2.965 20 0 JFADLN CC[C@@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1ccccc1OCC(=O)N(C)C ZINC001291712444 1064223998 /nfs/dbraw/zinc/22/39/98/1064223998.db2.gz AAMAOQSXDVTJPB-LJQANCHMSA-N 0 2 452.511 2.935 20 0 JFADLN O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001292592371 1065311083 /nfs/dbraw/zinc/31/10/83/1065311083.db2.gz 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RNEGVVCPYMLUTL-UHFFFAOYSA-N 0 2 458.496 2.957 20 0 JFADLN CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)n[nH]1 ZINC001295913202 1063965404 /nfs/dbraw/zinc/96/54/04/1063965404.db2.gz RNEGVVCPYMLUTL-UHFFFAOYSA-N 0 2 458.496 2.957 20 0 JFADLN Cc1cc(Br)cn2cc(CNC(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)nc12 ZINC001296180764 1064312943 /nfs/dbraw/zinc/31/29/43/1064312943.db2.gz WQSHOIJINIPROV-UHFFFAOYSA-N 0 2 458.341 2.871 20 0 JFADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cc(F)ccc2Sc2nccn2C)c1 ZINC001292325325 1065085970 /nfs/dbraw/zinc/08/59/70/1065085970.db2.gz TZHXNGUCWYUWRM-UHFFFAOYSA-N 0 2 450.517 2.919 20 0 JFADLN COCCCn1c(=O)c2ccc(C(=O)N[C@](C)(C(=O)OC)c3ccccc3)cc2[nH]c1=S ZINC001292759003 1065514846 /nfs/dbraw/zinc/51/48/46/1065514846.db2.gz VGWNNOCGIBDMQW-QHCPKHFHSA-N 0 2 455.536 2.540 20 0 JFADLN COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(C)cc1 ZINC001293155418 1065795208 /nfs/dbraw/zinc/79/52/08/1065795208.db2.gz VZYUQDGMUDAEBK-GOSISDBHSA-N 0 2 459.549 2.939 20 0 JFADLN 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O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001295200690 1063019717 /nfs/dbraw/zinc/01/97/17/1063019717.db2.gz YEXNWMIGHPLVHX-INIZCTEOSA-N 0 2 456.549 2.759 20 0 JFADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC001295336999 1063260835 /nfs/dbraw/zinc/26/08/35/1063260835.db2.gz AWRGSARBGZJYOM-ZDUSSCGKSA-N 0 2 450.513 2.662 20 0 JFADLN CC[C@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1ccccc1OCC(=O)N(C)C ZINC001291712443 1064223969 /nfs/dbraw/zinc/22/39/69/1064223969.db2.gz AAMAOQSXDVTJPB-IBGZPJMESA-N 0 2 452.511 2.935 20 0 JFADLN CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296135478 1064239666 /nfs/dbraw/zinc/23/96/66/1064239666.db2.gz ZCNHNMFPBAIVRV-NRFANRHFSA-N 0 2 485.677 2.542 20 0 JFADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCCCCCC(=O)OC(C)(C)C)cn1 ZINC001296296760 1064573695 /nfs/dbraw/zinc/57/36/95/1064573695.db2.gz UXUJRVGNTGZDMX-UHFFFAOYSA-N 0 2 456.590 2.914 20 0 JFADLN 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